BDBM50237996 CHEMBL4075968

SMILES: NC(CO)(CO)CO.OC(=O)CCn1c2cc(Cl)c(cc2oc1=O)C(F)(F)F

InChI Key: InChIKey=AYCXFZIANBOICC-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 = 50237996   

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))	BDBM50237996 (CHEMBL4075968) Show SMILES NC(CO)(CO)CO.OC(=O)CCn1c2cc(Cl)c(cc2oc1=O)C(F)(F)F Show InChI InChI=1S/C11H7ClF3NO4/c12-6-4-7-8(3-5(6)11(13,14)15)20-10(19)16(7)2-1-9(17)18/h3-4H,1-2H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.				Bioorg Med Chem Lett 27: 2023-2028 (2017) Article DOI: 10.1016/j.bmcl.2017.02.078 BindingDB Entry DOI: 10.7270/Q23R0W54
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50237996 (CHEMBL4075968) Show SMILES NC(CO)(CO)CO.OC(=O)CCn1c2cc(Cl)c(cc2oc1=O)C(F)(F)F Show InChI InChI=1S/C11H7ClF3NO4/c12-6-4-7-8(3-5(6)11(13,14)15)20-10(19)16(7)2-1-9(17)18/h3-4H,1-2H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.58E+4	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 L-kynurenine as substrate measured after 20 hrs by LC-MS/MS method				Bioorg Med Chem Lett 27: 2023-2028 (2017) Article DOI: 10.1016/j.bmcl.2017.02.078 BindingDB Entry DOI: 10.7270/Q23R0W54
					More data for this Ligand-Target Pair