ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

13677816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC005890 DNC005890

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	317	0.48	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGFRB_HUMAN	P09619	Platelet-derived Growth Factor Receptor Beta, Human	317	0.48	Binding ≤ 1μM
PGFRB_HUMAN	P09619	Platelet-derived Growth Factor Receptor Beta, Human	317	0.48	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	8.66	-7.92	2	3	0	41	247.301	2	↓ MOL2 SDF SMILES Flexibase

13677843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: JNJ-10198409 JNJ-10198409

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ABL1-1-E	Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic	Eukaryotes	22	0.45	Binding ≤ 10μM
FYN-1-E	Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic	Eukaryotes	378	0.37	Binding ≤ 10μM
KC1A-1-E	Casein Kinase I Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	7200	0.30	Binding ≤ 10μM
KC1D-1-E	Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	7200	0.30	Binding ≤ 10μM
KC1E-1-E	Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic	Eukaryotes	7200	0.30	Binding ≤ 10μM
KC1G1-1-E	Casein Kinase I Gamma 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7200	0.30	Binding ≤ 10μM
KC1G2-1-E	Casein Kinase I Gamma 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7200	0.30	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	100	0.41	Binding ≤ 10μM
PGFRA-1-E	Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	45	0.43	Binding ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.49	Binding ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic	Eukaryotes	185	0.39	Binding ≤ 10μM
VGFR1-1-E	Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3100	0.32	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3100	0.32	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3100	0.32	Binding ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.50	Functional ≤ 10μM
Z100490-1-O	ASPC1 (Pancreatic Tumour Cell Line) (cluster #1 Of 1), Other	Other	592	0.36	Functional ≤ 10μM
Z80018-2-O	A-375 (Malignant Melanoma Cells) (cluster #2 Of 4), Other	Other	7	0.48	Functional ≤ 10μM
Z80211-1-O	LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other	Other	17	0.45	Functional ≤ 10μM
Z80390-1-O	PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other	Other	27	0.44	Functional ≤ 10μM
Z80712-2-O	T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other	Other	32	0.44	Functional ≤ 10μM
Z81024-1-O	NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other	Other	10	0.47	Functional ≤ 10μM
Z81057-1-O	HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other	Other	4870	0.31	Functional ≤ 10μM
Z81170-1-O	LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other	Other	9	0.47	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGFRA_HUMAN	P16234	Platelet-derived Growth Factor Receptor Alpha, Human	45	0.43	Binding ≤ 1μM
PGFRB_HUMAN	P09619	Platelet-derived Growth Factor Receptor Beta, Human	4.2	0.49	Binding ≤ 1μM
ABL1_HUMAN	P00519	Tyrosine-protein Kinase ABL, Human	22	0.45	Binding ≤ 1μM
FYN_HUMAN	P06241	Tyrosine-protein Kinase FYN, Human	378	0.37	Binding ≤ 1μM
LCK_HUMAN	P06239	Tyrosine-protein Kinase LCK, Human	100	0.41	Binding ≤ 1μM
SRC_HUMAN	P12931	Tyrosine-protein Kinase SRC, Human	185	0.39	Binding ≤ 1μM
KC1A_HUMAN	P48729	Casein Kinase I Alpha, Human	7200	0.30	Binding ≤ 10μM
KC1D_HUMAN	P48730	Casein Kinase I Delta, Human	7200	0.30	Binding ≤ 10μM
KC1E_HUMAN	P49674	Casein Kinase I Epsilon, Human	7200	0.30	Binding ≤ 10μM
KC1G1_HUMAN	Q9HCP0	Casein Kinase I Gamma 1, Human	7200	0.30	Binding ≤ 10μM
KC1G2_HUMAN	P78368	Casein Kinase I Gamma 2, Human	7200	0.30	Binding ≤ 10μM
PGFRA_HUMAN	P16234	Platelet-derived Growth Factor Receptor Alpha, Human	45	0.43	Binding ≤ 10μM
PGFRB_HUMAN	P09619	Platelet-derived Growth Factor Receptor Beta, Human	4.2	0.49	Binding ≤ 10μM
ABL1_HUMAN	P00519	Tyrosine-protein Kinase ABL, Human	22	0.45	Binding ≤ 10μM
FYN_HUMAN	P06241	Tyrosine-protein Kinase FYN, Human	378	0.37	Binding ≤ 10μM
LCK_HUMAN	P06239	Tyrosine-protein Kinase LCK, Human	100	0.41	Binding ≤ 10μM
SRC_HUMAN	P12931	Tyrosine-protein Kinase SRC, Human	185	0.39	Binding ≤ 10μM
VGFR1_HUMAN	P17948	Vascular Endothelial Growth Factor Receptor 1, Human	3100	0.32	Binding ≤ 10μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	3100	0.32	Binding ≤ 10μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	3100	0.32	Binding ≤ 10μM
Z80018	Z80018	A-375 (Malignant Melanoma Cells)	7	0.48	Functional ≤ 10μM
Z100490	Z100490	ASPC1 (Pancreatic Tumour Cell Line)	592	0.36	Functional ≤ 10μM
Z81057	Z81057	HUVEC (Umbilical Vein Endothelial Cells)	4870	0.31	Functional ≤ 10μM
Z81170	Z81170	LNCaP (Prostate Carcinoma)	9	0.47	Functional ≤ 10μM
Z80211	Z80211	LoVo (Colon Adenocarcinoma Cells)	17	0.45	Functional ≤ 10μM
Z81024	Z81024	NCI-H460 (Non-small Cell Lung Carcinoma)	10	0.47	Functional ≤ 10μM
Z80390	Z80390	PC-3 (Prostate Carcinoma Cells)	27	0.44	Functional ≤ 10μM
PGFRB_HUMAN	P09619	Platelet-derived Growth Factor Receptor Beta, Human	3	0.50	Functional ≤ 10μM
Z80712	Z80712	T47D (Breast Carcinoma Cells)	32	0.44	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.95	7.83	-10.84	2	5	0	59	325.343	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.95	7.96	-9.94	2	5	0	59	325.343	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.95	7.89	-35.59	3	5	1	60	326.351	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 223836
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 223836 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "223836"        

    });
</script>

ZINC 12

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