BDBM50206963 CHEMBL3948337::US9518055, Example 41

SMILES: Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12

InChI Key: InChIKey=VSSMWFPLHKIWCP-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50206963   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of hepatic CYP3A4 (unknown origin)				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	57.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016) BindingDB Entry DOI: 10.7270/Q23B625B
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016) BindingDB Entry DOI: 10.7270/Q23B625B
					More data for this Ligand-Target Pair
Cytochrome P450 21 (Homo sapiens (Human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
					More data for this Ligand-Target Pair