BDBM50125246 3-(3-Amino-4-chloro-phenyl)-5-[(propane-1-sulfonylamino)-methyl]-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide::CHEMBL8135

SMILES: CCCS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=MISQUWCVRRHRCQ-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 = 50125246   

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))	BDBM50125246 (3-(3-Amino-4-chloro-phenyl)-5-[(propane-1-sulfonyl...) Show SMILES CCCS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H27ClN6O6S2/c1-2-11-39(34,35)30-15-25(13-21(32-38-25)16-7-9-19(26)20(27)12-16)24(33)31-23-10-8-17(14-29-23)18-5-3-4-6-22(18)40(28,36)37/h3-10,12,14,30H,2,11,13,15,27H2,1H3,(H2,28,36,37)(H,29,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	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))	BDBM50125246 (3-(3-Amino-4-chloro-phenyl)-5-[(propane-1-sulfonyl...) Show SMILES CCCS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H27ClN6O6S2/c1-2-11-39(34,35)30-15-25(13-21(32-38-25)16-7-9-19(26)20(27)12-16)24(33)31-23-10-8-17(14-29-23)18-5-3-4-6-22(18)40(28,36)37/h3-10,12,14,30H,2,11,13,15,27H2,1H3,(H2,28,36,37)(H,29,31,33)	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))	BDBM50125246 (3-(3-Amino-4-chloro-phenyl)-5-[(propane-1-sulfonyl...) Show SMILES CCCS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H27ClN6O6S2/c1-2-11-39(34,35)30-15-25(13-21(32-38-25)16-7-9-19(26)20(27)12-16)24(33)31-23-10-8-17(14-29-23)18-5-3-4-6-22(18)40(28,36)37/h3-10,12,14,30H,2,11,13,15,27H2,1H3,(H2,28,36,37)(H,29,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+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