BDBM50266087 CHEMBL4064339

SMILES: NC(CO)(CO)CO.C[C@@H](Oc1cc2OCC(=O)N(CCC(O)=O)c2cc1Cl)c1ccccn1

InChI Key: InChIKey=NFWBNFYQBILOHG-RFVHGSKJSA-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 = 50266087   

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))	BDBM50266087 (CHEMBL4064339) Show SMILES NC(CO)(CO)CO.C[C@@H](Oc1cc2OCC(=O)N(CCC(O)=O)c2cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C18H17ClN2O5.C4H11NO3/c1-11(13-4-2-3-6-20-13)26-15-9-16-14(8-12(15)19)21(7-5-18(23)24)17(22)10-25-16;5-4(1-6,2-7)3-8/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,23,24);6-8H,1-3,5H2/t11-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft...				J Med Chem 60: 3383-3404 (2017) Article DOI: 10.1021/acs.jmedchem.7b00055 BindingDB Entry DOI: 10.7270/Q26112SB
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50266087 (CHEMBL4064339) Show SMILES NC(CO)(CO)CO.C[C@@H](Oc1cc2OCC(=O)N(CCC(O)=O)c2cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C18H17ClN2O5.C4H11NO3/c1-11(13-4-2-3-6-20-13)26-15-9-16-14(8-12(15)19)21(7-5-18(23)24)17(22)10-25-16;5-4(1-6,2-7)3-8/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,23,24);6-8H,1-3,5H2/t11-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length human KMO expressed in HEK293 cells using kynurenine as substrate measured after 20 hrs by LC-MS/MS analysis				J Med Chem 60: 3383-3404 (2017) Article DOI: 10.1021/acs.jmedchem.7b00055 BindingDB Entry DOI: 10.7270/Q26112SB
					More data for this Ligand-Target Pair