BDBM50395460 CHEMBL2163638

SMILES: CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1

InChI Key: InChIKey=QFVWNWUBYUMAPA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50395460   

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))	BDBM50395460 (CHEMBL2163638) Show SMILES CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1 Show InChI InChI=1S/C18H21N3O/c1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21/h6,8-12,17H,3-5,7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	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 hamster V79 MZh cells using deoxycorticosterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50395460 (CHEMBL2163638) Show SMILES CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1 Show InChI InChI=1S/C18H21N3O/c1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21/h6,8-12,17H,3-5,7H2,1-2H3	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	1.55E+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 CYP17 expressed in Escherichia coli using progesterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50395460 (CHEMBL2163638) Show SMILES CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1 Show InChI InChI=1S/C18H21N3O/c1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21/h6,8-12,17H,3-5,7H2,1-2H3	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	>500	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 placental CYP19 using androstenedione substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50395460 (CHEMBL2163638) Show SMILES CC(C)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1 Show InChI InChI=1S/C18H21N3O/c1-12(2)17(20-8-6-19-11-20)15-9-13-3-4-16(22)21-7-5-14(10-15)18(13)21/h6,8-12,17H,3-5,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	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 hamster V79 MZh cells using deoxycorticosterone substrate				J Med Chem 55: 6629-33 (2012) Article DOI: 10.1021/jm3003872 BindingDB Entry DOI: 10.7270/Q2Q241CP
					More data for this Ligand-Target Pair