BDBM50125245 3-(3-Amino-4-chloro-phenyl)-5-(benzenesulfonylamino-methyl)-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide::CHEMBL269065

SMILES: Nc1cc(ccc1Cl)C1=NOC(CNS(=O)(=O)c2ccccc2)(C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=XWHWJTYHDNETAB-UHFFFAOYSA-N

Data: 3 KI

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 = 50125245   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50125245 (3-(3-Amino-4-chloro-phenyl)-5-(benzenesulfonylamin...) Show SMILES Nc1cc(ccc1Cl)C1=NOC(CNS(=O)(=O)c2ccccc2)(C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |t:9| Show InChI InChI=1S/C28H25ClN6O6S2/c29-22-12-10-18(14-23(22)30)24-15-28(41-35-24,17-33-43(39,40)20-6-2-1-3-7-20)27(36)34-26-13-11-19(16-32-26)21-8-4-5-9-25(21)42(31,37)38/h1-14,16,33H,15,17,30H2,(H2,31,37,38)(H,32,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against factor Xa using human purified enzyme.				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50125245 (3-(3-Amino-4-chloro-phenyl)-5-(benzenesulfonylamin...) Show SMILES Nc1cc(ccc1Cl)C1=NOC(CNS(=O)(=O)c2ccccc2)(C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |t:9| Show InChI InChI=1S/C28H25ClN6O6S2/c29-22-12-10-18(14-23(22)30)24-15-28(41-35-24,17-33-43(39,40)20-6-2-1-3-7-20)27(36)34-26-13-11-19(16-32-26)21-8-4-5-9-25(21)42(31,37)38/h1-14,16,33H,15,17,30H2,(H2,31,37,38)(H,32,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against trypsin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50125245 (3-(3-Amino-4-chloro-phenyl)-5-(benzenesulfonylamin...) Show SMILES Nc1cc(ccc1Cl)C1=NOC(CNS(=O)(=O)c2ccccc2)(C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |t:9| Show InChI InChI=1S/C28H25ClN6O6S2/c29-22-12-10-18(14-23(22)30)24-15-28(41-35-24,17-33-43(39,40)20-6-2-1-3-7-20)27(36)34-26-13-11-19(16-32-26)21-8-4-5-9-25(21)42(31,37)38/h1-14,16,33H,15,17,30H2,(H2,31,37,38)(H,32,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair