ZINC 12

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  ZINC ID or SMILES

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Aromalake BB

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Functional 10μM Targets with Highest Number of Available Compounds (103 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
TAAR1_HUMAN	Q96RJ0	CHEMBL5857	Trace amine-associated receptor 1	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	12	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_HUMAN	Q8TDS4	CHEMBL3785	Nicotinic acid receptor 1	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80064	Z80064	CHEMBL382	CCRF-CEM (T-cell leukemia)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A11_RAT	P31647	CHEMBL3598	GABA transporter 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A12_RAT	P48056	CHEMBL5248	Betaine transporter	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S6A13_RAT	P31646	CHEMBL4889	GABA transporter 2	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A1_RAT	P23978	CHEMBL4054	GABA transporter 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50418	Z50418	CHEMBL612849	Trypanosoma brucei	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50460	Z50460	CHEMBL612879	Leishmania major	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50643	Z50643	CHEMBL379	Hepatitis C virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80101	Z80101	CHEMBL614562	COLO 320DM (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80136	Z80136	CHEMBL614297	FM3A (Breast carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80268	Z80268	CHEMBL614353	MKN-28 (Gastric epithelial carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80269	Z80269	CHEMBL614354	MKN-45 (Gastric adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80347	Z80347	CHEMBL614208	NUGC-3 (Gastric carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80525	Z80525	CHEMBL614055	SW48	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80532	Z80532	CHEMBL614774	T-24 (Bladder carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80686	Z80686	CHEMBL614274	AZ-521 cell line	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81121	Z81121	CHEMBL613996	KKLS cell line	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81170	Z81170	CHEMBL612518	LNCaP (Prostate carcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81330	Z81330	CHEMBL614304	SNU-	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACES_MOUSE	P21836	CHEMBL3198	Acetylcholinesterase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2A_HUMAN	P08913	CHEMBL1867	Alpha-2a adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2B_RAT	P19328	CHEMBL266	Alpha-2b adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ADA2C_HUMAN	P18825	CHEMBL1916	Alpha-2c adrenergic receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ATP4A_HUMAN	P20648	CHEMBL1802	Potassium-transporting ATPase alpha chain 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ATP4B_HUMAN	P51164	CHEMBL5207	Potassium-transporting ATPase beta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRTS_PLAFK	P13922	CHEMBL1939	Dihydrofolate reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MP2K1_HUMAN	Q02750	CHEMBL3587	Dual specificity mitogen-activated protein kinase kinase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MP2K2_HUMAN	P36507	CHEMBL2964	Dual specificity mitogen-activated protein kinase kinase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
RAF1_HUMAN	P04049	CHEMBL1906	Serine/threonine-protein kinase RAF	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TLR7_HUMAN	Q9NYK1	CHEMBL5936	Toll-like receptor 7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102020	Z102020	CHEMBL613016	Porcine endogenous retrovirus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103205	Z103205	CHEMBL1075390	A431	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103419	Z103419	CHEMBL1075604	UACC-812	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50339	Z50339	CHEMBL613064	Pneumocystis carinii	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50420	Z50420	CHEMBL612851	Trypanosoma brucei brucei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50461	Z50461	CHEMBL612880	Leishmania mexicana	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50472	Z50472	CHEMBL612888	Toxoplasma gondii	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50515	Z50515	CHEMBL370	Human herpesvirus 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50527	Z50527	CHEMBL613132	Human herpesvirus 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50530	Z50530	CHEMBL371	Human herpesvirus 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50531	Z50531	CHEMBL613135	Caenorhabditis elegans	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50602	Z50602	CHEMBL377	Human herpesvirus 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50606	Z50606	CHEMBL613497	Hepatitis B virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50611	Z50611	CHEMBL613500	Moloney murine leukemia virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50612	Z50612	CHEMBL613501	Moloney murine sarcoma virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50658	Z50658	CHEMBL380	Human immunodeficiency virus 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80052	Z80052	CHEMBL614533	C8166 (Leukemic T-cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80054	Z80054	CHEMBL614058	Caco-2 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80076	Z80076	CHEMBL614548	CEM-SS (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80088	Z80088	CHEMBL613853	CHO (Ovarian cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80107	Z80107	CHEMBL614564	COS-7 (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80125	Z80125	CHEMBL613508	DU-145 (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80192	Z80192	CHEMBL614709	KM12 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80295	Z80295	CHEMBL388	MT4 (Lymphocytes)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80485	Z80485	CHEMBL614919	SK-MEL-28 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80490	Z80490	CHEMBL614923	SK-MES-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80526	Z80526	CHEMBL612544	SW480 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80641	Z80641	CHEMBL614254	791T cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80653	Z80653	CHEMBL613105	9L (Glioma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80724	Z80724	CHEMBL614705	C170 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80742	Z80742	CHEMBL614657	C6 (Glioma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80862	Z80862	CHEMBL614157	GC3/MTK- cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81024	Z81024	CHEMBL396	NCI-H460 (Non-small cell lung carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81041	Z81041	CHEMBL612424	Prostatic carcinoma cells	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81043	Z81043	CHEMBL613969	N592	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81048	Z81048	CHEMBL613973	TSU (Prostatic carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81138	Z81138	CHEMBL613872	ScN2a (Scrapie-infected neuroblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81217	Z81217	CHEMBL614018	LY3.7.2C TK-/- cell lines	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase