BDBM50003134 3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione::CHEMBL88412

SMILES: CCCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1

InChI Key: InChIKey=MXNNUYDUWHPTRU-GOSISDBHSA-N

Data: 2 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 2 hits for monomerid = 50003134   

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))	BDBM50003134 (3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...) Show SMILES CCCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1 Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-11-18(15-9-13-19-14-10-15)12-8-16(21)20-17(18)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,21,22)/t18-/m1/s1	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	330	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))	BDBM50003134 (3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...) Show SMILES CCCCCCCC[C@@]1(CCC(=O)NC1=O)c1ccncc1 Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-11-18(15-9-13-19-14-10-15)12-8-16(21)20-17(18)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,21,22)/t18-/m1/s1	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	1.60E+3	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				J Med Chem 35: 3699-704 (1992) BindingDB Entry DOI: 10.7270/Q2MW2G2M
					More data for this Ligand-Target Pair