BDBM50088519 CHEMBL3526743

SMILES: COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN)s1)-c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=IXIGNBSHCYBEDA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50088519   

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 (Mus musculus)	BDBM50088519 (CHEMBL3526743) Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN)s1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C18H18N4O6S2/c1-27-14-7-6-13(9-15(14)28-2)30(25,26)21-18-20-17(16(10-19)29-18)11-4-3-5-12(8-11)22(23)24/h3-9H,10,19H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management/CHDI Foundation Curated by ChEMBL					Assay Description Inhibition of C57BL/6J mouse KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS a...				Drug Metab Dispos 40: 2297-306 (2012) Article DOI: 10.1124/dmd.112.046532 BindingDB Entry DOI: 10.7270/Q2WW7KDQ
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Rattus norvegicus)	BDBM50088519 (CHEMBL3526743) Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN)s1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C18H18N4O6S2/c1-27-14-7-6-13(9-15(14)28-2)30(25,26)21-18-20-17(16(10-19)29-18)11-4-3-5-12(8-11)22(23)24/h3-9H,10,19H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
CHDI Management/CHDI Foundation Curated by ChEMBL					Assay Description Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analy...				Drug Metab Dispos 40: 2297-306 (2012) Article DOI: 10.1124/dmd.112.046532 BindingDB Entry DOI: 10.7270/Q2WW7KDQ
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50088519 (CHEMBL3526743) Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN)s1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C18H18N4O6S2/c1-27-14-7-6-13(9-15(14)28-2)30(25,26)21-18-20-17(16(10-19)29-18)11-4-3-5-12(8-11)22(23)24/h3-9H,10,19H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management/CHDI Foundation Curated by ChEMBL					Assay Description Inhibition of human KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis				Drug Metab Dispos 40: 2297-306 (2012) Article DOI: 10.1124/dmd.112.046532 BindingDB Entry DOI: 10.7270/Q2WW7KDQ
					More data for this Ligand-Target Pair