BDBM50237992 CHEMBL4061355

SMILES: COc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl

InChI Key: InChIKey=ULGMFNQVPOXZSJ-UHFFFAOYSA-N

Data: 4 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 = 50237992   

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))	BDBM50237992 (CHEMBL4061355) Show SMILES COc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl Show InChI InChI=1S/C11H10ClNO5/c1-17-8-5-9-7(4-6(8)12)13(11(16)18-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human N-terminal GST tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using L-kynurenine ...				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))	BDBM50237992 (CHEMBL4061355) Show SMILES COc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl Show InChI InChI=1S/C11H10ClNO5/c1-17-8-5-9-7(4-6(8)12)13(11(16)18-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	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))	BDBM50237992 (CHEMBL4061355) Show SMILES COc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl Show InChI InChI=1S/C11H10ClNO5/c1-17-8-5-9-7(4-6(8)12)13(11(16)18-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+3	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
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50237992 (CHEMBL4061355) Show SMILES COc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl Show InChI InChI=1S/C11H10ClNO5/c1-17-8-5-9-7(4-6(8)12)13(11(16)18-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens				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