BDBM50079237 3-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole-5-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL445678

SMILES: NC(=N)c1cccc(c1)C1=NOC(C1)(C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F

InChI Key: InChIKey=MFKRXTPHKUWERL-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 = 50079237   

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))	BDBM50079237 (3-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-4,5-d...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(C1)(C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F |t:10| Show InChI InChI=1S/C24H20F3N5O4S/c25-24(26,27)23(13-19(32-36-23)15-4-3-5-16(12-15)21(28)29)22(33)31-17-10-8-14(9-11-17)18-6-1-2-7-20(18)37(30,34)35/h1-12H,13H2,(H3,28,29)(H,31,33)(H2,30,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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))	BDBM50079237 (3-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-4,5-d...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(C1)(C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F |t:10| Show InChI InChI=1S/C24H20F3N5O4S/c25-24(26,27)23(13-19(32-36-23)15-4-3-5-16(12-15)21(28)29)22(33)31-17-10-8-14(9-11-17)18-6-1-2-7-20(18)37(30,34)35/h1-12H,13H2,(H3,28,29)(H,31,33)(H2,30,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	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))	BDBM50079237 (3-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-4,5-d...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(C1)(C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F |t:10| Show InChI InChI=1S/C24H20F3N5O4S/c25-24(26,27)23(13-19(32-36-23)15-4-3-5-16(12-15)21(28)29)22(33)31-17-10-8-14(9-11-17)18-6-1-2-7-20(18)37(30,34)35/h1-12H,13H2,(H3,28,29)(H,31,33)(H2,30,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10E+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