BDBM50079242 3-(3-Carbamimidoyl-phenyl)-5-ethanesulfonylmethyl-4,5-dihydro-isoxazole-5-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL406295

SMILES: CCS(=O)(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=JAAHCKRSVQLMQH-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 = 50079242   

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))	BDBM50079242 (3-(3-Carbamimidoyl-phenyl)-5-ethanesulfonylmethyl-...) Show SMILES CCS(=O)(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C26H27N5O6S2/c1-2-38(33,34)16-26(15-22(31-37-26)18-6-5-7-19(14-18)24(27)28)25(32)30-20-12-10-17(11-13-20)21-8-3-4-9-23(21)39(29,35)36/h3-14H,2,15-16H2,1H3,(H3,27,28)(H,30,32)(H2,29,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity towards human purified Coagulation factor Xa (FXa)				J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50079242 (3-(3-Carbamimidoyl-phenyl)-5-ethanesulfonylmethyl-...) Show SMILES CCS(=O)(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C26H27N5O6S2/c1-2-38(33,34)16-26(15-22(31-37-26)18-6-5-7-19(14-18)24(27)28)25(32)30-20-12-10-17(11-13-20)21-8-3-4-9-23(21)39(29,35)36/h3-14H,2,15-16H2,1H3,(H3,27,28)(H,30,32)(H2,29,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity towards trypsin obtained from human purified enzymes				J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079242 (3-(3-Carbamimidoyl-phenyl)-5-ethanesulfonylmethyl-...) Show SMILES CCS(=O)(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C26H27N5O6S2/c1-2-38(33,34)16-26(15-22(31-37-26)18-6-5-7-19(14-18)24(27)28)25(32)30-20-12-10-17(11-13-20)21-8-3-4-9-23(21)39(29,35)36/h3-14H,2,15-16H2,1H3,(H3,27,28)(H,30,32)(H2,29,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity towards thrombin obtained from human purified enzymes				J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG
					More data for this Ligand-Target Pair