BDBM50125251 3-(3-Amino-benzo[d]isoxazol-5-yl)-5-(methanesulfonylamino-methyl)-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide::CHEMBL8018

SMILES: CS(=O)(=O)NCC1(CC(=NO1)c1ccc2onc(N)c2c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=TYOJRLVJXRQLFG-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 = 50125251   

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))	BDBM50125251 (3-(3-Amino-benzo[d]isoxazol-5-yl)-5-(methanesulfon...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc2onc(N)c2c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C24H23N7O7S2/c1-39(33,34)28-13-24(11-18(30-38-24)14-6-8-19-17(10-14)22(25)31-37-19)23(32)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)40(26,35)36/h2-10,12,28H,11,13H2,1H3,(H2,25,31)(H2,26,35,36)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	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))	BDBM50125251 (3-(3-Amino-benzo[d]isoxazol-5-yl)-5-(methanesulfon...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc2onc(N)c2c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C24H23N7O7S2/c1-39(33,34)28-13-24(11-18(30-38-24)14-6-8-19-17(10-14)22(25)31-37-19)23(32)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)40(26,35)36/h2-10,12,28H,11,13H2,1H3,(H2,25,31)(H2,26,35,36)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.20E+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))	BDBM50125251 (3-(3-Amino-benzo[d]isoxazol-5-yl)-5-(methanesulfon...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc2onc(N)c2c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C24H23N7O7S2/c1-39(33,34)28-13-24(11-18(30-38-24)14-6-8-19-17(10-14)22(25)31-37-19)23(32)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)40(26,35)36/h2-10,12,28H,11,13H2,1H3,(H2,25,31)(H2,26,35,36)(H,27,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+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 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