BDBM50072091 CHEMBL3407873

SMILES: OC(=O)c1cc(ncn1)-c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=OVVVNOOLXDNLEG-UHFFFAOYSA-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 = 50072091   

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
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072091 (CHEMBL3407873) Show SMILES OC(=O)c1cc(ncn1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C17H12N2O2/c20-17(21)16-10-15(18-11-19-16)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO transfected in CHO cells assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				J Med Chem 58: 1159-83 (2015) Article DOI: 10.1021/jm501350y BindingDB Entry DOI: 10.7270/Q2445P5N
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072091 (CHEMBL3407873) Show SMILES OC(=O)c1cc(ncn1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C17H12N2O2/c20-17(21)16-10-15(18-11-19-16)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (U.K.) Ltd Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis				J Med Chem 58: 1159-83 (2015) Article DOI: 10.1021/jm501350y BindingDB Entry DOI: 10.7270/Q2445P5N
					More data for this Ligand-Target Pair