BDBM50078618 CHEMBL3415173::US9278093, 2

SMILES: Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C

InChI Key: InChIKey=MQHYBBKWHVWRSQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50078618   

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 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50078618 (CHEMBL3415173 | US9278093, 2) Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	37
Merck Sharp & Dohme Corp.; ElexoPharm GmbH US Patent					Assay Description Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...				US Patent US9278093 (2016) BindingDB Entry DOI: 10.7270/Q2HT2N5D
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50078618 (CHEMBL3415173 | US9278093, 2) Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	37
Merck Sharp & Dohme Corp.; ElexoPharm GmbH US Patent					Assay Description Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. ...				US Patent US9278093 (2016) BindingDB Entry DOI: 10.7270/Q2HT2N5D
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50078618 (CHEMBL3415173 | US9278093, 2) Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3	PDB 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase				J Med Chem 58: 2530-7 (2015) Article DOI: 10.1021/acs.jmedchem.5b00079 BindingDB Entry DOI: 10.7270/Q20003S5
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50078618 (CHEMBL3415173 | US9278093, 2) Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method				J Med Chem 58: 2530-7 (2015) Article DOI: 10.1021/acs.jmedchem.5b00079 BindingDB Entry DOI: 10.7270/Q20003S5
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50078618 (CHEMBL3415173 | US9278093, 2) Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate				J Med Chem 58: 2530-7 (2015) Article DOI: 10.1021/acs.jmedchem.5b00079 BindingDB Entry DOI: 10.7270/Q20003S5
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50078618 (CHEMBL3415173 | US9278093, 2) Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1C Show InChI InChI=1S/C17H14F2N4/c1-9-13(7-20-8-15(9)19)12-5-11-3-4-16-22-21-10(2)23(16)17(11)14(18)6-12/h5-8H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method				J Med Chem 58: 2530-7 (2015) Article DOI: 10.1021/acs.jmedchem.5b00079 BindingDB Entry DOI: 10.7270/Q20003S5
					More data for this Ligand-Target Pair