BDBM50072133 CHEMBL3407916

SMILES: OC(=O)c1cc(ncn1)-c1ccc(Cl)c(OCCN2CCOCC2)c1

InChI Key: InChIKey=NVYKQTWKISDDHB-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 = 50072133   

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))	BDBM50072133 (CHEMBL3407916) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(OCCN2CCOCC2)c1 Show InChI InChI=1S/C17H18ClN3O4/c18-13-2-1-12(14-10-15(17(22)23)20-11-19-14)9-16(13)25-8-5-21-3-6-24-7-4-21/h1-2,9-11H,3-8H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50072133 (CHEMBL3407916) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(OCCN2CCOCC2)c1 Show InChI InChI=1S/C17H18ClN3O4/c18-13-2-1-12(14-10-15(17(22)23)20-11-19-14)9-16(13)25-8-5-21-3-6-24-7-4-21/h1-2,9-11H,3-8H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.05E+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