ZINC 12

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  ZINC ID or SMILES

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DrugBank-withdrawn

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

Functional 10μM Targets with Highest Number of Available Compounds (47 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNH2_HUMAN	Q12809	CHEMBL240	HERG	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50594	Z50594	CHEMBL375	Mus musculus	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR1_HUMAN	P08183	CHEMBL4302	P-glycoprotein 1	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR1_MOUSE	P06795	CHEMBL3467	P-glycoprotein 1	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_HUMAN	P37231	CHEMBL235	Peroxisome proliferator-activated receptor gamma	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_MOUSE	P37238	CHEMBL2459	Peroxisome proliferator-activated receptor gamma	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80006	Z80006	CHEMBL614510	3T3-L1 (Fibroblast cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9WTR4_RAT	Q9WTR4	CHEMBL304	Norepinephrine transporter	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A4_RAT	P31652	CHEMBL313	Serotonin transporter	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_RAT	P18901	CHEMBL265	Dopamine D1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_RAT	P19020	CHEMBL3138	Dopamine D3 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_RAT	P30729	CHEMBL3361	Dopamine D4 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD5_RAT	P25115	CHEMBL2281	Dopamine D5 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH1_HUMAN	P35367	CHEMBL231	Histamine H1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MDR3_MOUSE	P21447	CHEMBL2573	P-glycoprotein 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SC6A3_RAT	P23977	CHEMBL338	Dopamine transporter	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT3A_RAT	P35563	CHEMBL2411	Serotonin 3a (5-HT3a) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT4R_RAT	Q62758	CHEMBL4317	Serotonin 4 (5-HT4) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1B_HUMAN	Q00975	CHEMBL4478	Voltage-gated N-type calcium channel alpha-1B subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1G_HUMAN	O43497	CHEMBL4641	Voltage-gated T-type calcium channel alpha-1G subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAC1H_HUMAN	O95180	CHEMBL1859	Voltage-gated T-type calcium channel alpha-1H subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH2_HUMAN	P00918	CHEMBL205	Carbonic anhydrase II	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CAH4_BOVIN	Q95323	CHEMBL281	Carbonic anhydrase IV	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_HUMAN	P14416	CHEMBL217	Dopamine D2 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
KCNA5_HUMAN	P22460	CHEMBL4306	Voltage-gated potassium channel subunit Kv1.5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH2_HUMAN	P35354	CHEMBL230	Cyclooxygenase-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50038	Z50038	CHEMBL612328	Plasmodium yoelii yoelii	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50212	Z50212	CHEMBL354	Escherichia coli	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50362	Z50362	CHEMBL613075	Lactobacillus casei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80064	Z80064	CHEMBL382	CCRF-CEM (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80107	Z80107	CHEMBL614564	COS-7 (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80119	Z80119	CHEMBL614059	Detroit 98	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80171	Z80171	CHEMBL614582	HuTu80	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80457	Z80457	CHEMBL614901	SCC-25	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80459	Z80459	CHEMBL614147	SCC-7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80830	Z80830	CHEMBL614641	Ehrlich (Ehrlich ascites carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81131	Z81131	CHEMBL612266	L cells (Fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81135	Z81135	CHEMBL614793	L6 (Skeletal muscle myoblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase