BDBM50015983 (S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione::3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione::CHEMBL39661

SMILES: CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1

InChI Key: InChIKey=OORIPAIYDLQOTG-UHFFFAOYSA-N

Data: 2 KI  5 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 = 50015983   

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 19A1 (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 with testosterone				J Med Chem 30: 1550-4 (1987) BindingDB Entry DOI: 10.7270/Q2GM869Q
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 with androstenedione				J Med Chem 30: 1550-4 (1987) BindingDB Entry DOI: 10.7270/Q2GM869Q
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 with testosterone				J Med Chem 30: 1550-4 (1987) BindingDB Entry DOI: 10.7270/Q2GM869Q
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human placental cytochrome P450 19A1				J Med Chem 30: 1550-4 (1987) BindingDB Entry DOI: 10.7270/Q2GM869Q
					More data for this Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1) (Bos taurus (Bovine))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine desmolase, cytochrome P450 11A1				J Med Chem 30: 1550-4 (1987) BindingDB Entry DOI: 10.7270/Q2GM869Q
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 in human placenta				J Med Chem 33: 2673-9 (1990) BindingDB Entry DOI: 10.7270/Q29Z93WC
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of aromatase cytochrome P450 19A1				Bioorg Med Chem Lett 5: 1673-1678 (1995) Article DOI: 10.1016/0960-894X(95)00258-U BindingDB Entry DOI: 10.7270/Q24T6JBH
					More data for this Ligand-Target Pair