BDBM50024544 3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione::CHEMBL38472

SMILES: CCCCCCCCC1(CCC(=O)NC1=O)c1ccncc1

InChI Key: InChIKey=MXNNUYDUWHPTRU-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50024544   

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))	BDBM50024544 (3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...) Show SMILES CCCCCCCCC1(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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	90	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))	BDBM50024544 (3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...) Show SMILES CCCCCCCCC1(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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	200	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))	BDBM50024544 (3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...) Show SMILES CCCCCCCCC1(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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	600	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))	BDBM50024544 (3-Octyl-4,5-dihydro-3H-[3,4']bipyridinyl-2,6-dione...) Show SMILES CCCCCCCCC1(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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	330	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