BDBM50079246 3-(3-Carbamimidoyl-phenyl)-5-[1,2,4]triazol-1-ylmethyl-4,5-dihydro-isoxazole-5-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL436684

SMILES: NC(=N)c1cccc(c1)C1=NOC(Cn2cncn2)(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=JIAYVDPPILTWKJ-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 = 50079246   

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))	BDBM50079246 (3-(3-Carbamimidoyl-phenyl)-5-[1,2,4]triazol-1-ylme...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cncn2)(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C26H24N8O4S/c27-24(28)19-5-3-4-18(12-19)22-13-26(38-33-22,14-34-16-30-15-31-34)25(35)32-20-10-8-17(9-11-20)21-6-1-2-7-23(21)39(29,36)37/h1-12,15-16H,13-14H2,(H3,27,28)(H,32,35)(H2,29,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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))	BDBM50079246 (3-(3-Carbamimidoyl-phenyl)-5-[1,2,4]triazol-1-ylme...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cncn2)(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C26H24N8O4S/c27-24(28)19-5-3-4-18(12-19)22-13-26(38-33-22,14-34-16-30-15-31-34)25(35)32-20-10-8-17(9-11-20)21-6-1-2-7-23(21)39(29,36)37/h1-12,15-16H,13-14H2,(H3,27,28)(H,32,35)(H2,29,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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))	BDBM50079246 (3-(3-Carbamimidoyl-phenyl)-5-[1,2,4]triazol-1-ylme...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cncn2)(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C26H24N8O4S/c27-24(28)19-5-3-4-18(12-19)22-13-26(38-33-22,14-34-16-30-15-31-34)25(35)32-20-10-8-17(9-11-20)21-6-1-2-7-23(21)39(29,36)37/h1-12,15-16H,13-14H2,(H3,27,28)(H,32,35)(H2,29,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+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