BDBM50079250 3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4,5-dihydro-isoxazole-5-carboxylic acid (3-methyl-2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL329460

SMILES: Cc1cc(ccc1NC(=O)C1(Cn2cnnn2)CC(=NO1)c1cccc(c1)C(N)=N)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=PHHWZEWSGHCFRK-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 = 50079250   

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))	BDBM50079250 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES Cc1cc(ccc1NC(=O)C1(Cn2cnnn2)CC(=NO1)c1cccc(c1)C(N)=N)-c1ccccc1S(N)(=O)=O |c:20| Show InChI InChI=1S/C26H25N9O4S/c1-16-11-17(20-7-2-3-8-23(20)40(29,37)38)9-10-21(16)31-25(36)26(14-35-15-30-33-34-35)13-22(32-39-26)18-5-4-6-19(12-18)24(27)28/h2-12,15H,13-14H2,1H3,(H3,27,28)(H,31,36)(H2,29,37,38)	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	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))	BDBM50079250 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES Cc1cc(ccc1NC(=O)C1(Cn2cnnn2)CC(=NO1)c1cccc(c1)C(N)=N)-c1ccccc1S(N)(=O)=O |c:20| Show InChI InChI=1S/C26H25N9O4S/c1-16-11-17(20-7-2-3-8-23(20)40(29,37)38)9-10-21(16)31-25(36)26(14-35-15-30-33-34-35)13-22(32-39-26)18-5-4-6-19(12-18)24(27)28/h2-12,15H,13-14H2,1H3,(H3,27,28)(H,31,36)(H2,29,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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))	BDBM50079250 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES Cc1cc(ccc1NC(=O)C1(Cn2cnnn2)CC(=NO1)c1cccc(c1)C(N)=N)-c1ccccc1S(N)(=O)=O |c:20| Show InChI InChI=1S/C26H25N9O4S/c1-16-11-17(20-7-2-3-8-23(20)40(29,37)38)9-10-21(16)31-25(36)26(14-35-15-30-33-34-35)13-22(32-39-26)18-5-4-6-19(12-18)24(27)28/h2-12,15H,13-14H2,1H3,(H3,27,28)(H,31,36)(H2,29,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	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