BDBM50079254 3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4,5-dihydro-isoxazole-5-carboxylic acid (2'-propylsulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL264626

SMILES: CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(=NO2)c2cccc(c2)C(N)=N)cc1

InChI Key: InChIKey=HTDWCKNOXARIND-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 = 50079254   

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))	BDBM50079254 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(=NO2)c2cccc(c2)C(N)=N)cc1 |c:30| Show InChI InChI=1S/C28H29N9O4S/c1-2-14-32-42(39,40)25-9-4-3-8-23(25)19-10-12-22(13-11-19)33-27(38)28(17-37-18-31-35-36-37)16-24(34-41-28)20-6-5-7-21(15-20)26(29)30/h3-13,15,18,32H,2,14,16-17H2,1H3,(H3,29,30)(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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))	BDBM50079254 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(=NO2)c2cccc(c2)C(N)=N)cc1 |c:30| Show InChI InChI=1S/C28H29N9O4S/c1-2-14-32-42(39,40)25-9-4-3-8-23(25)19-10-12-22(13-11-19)33-27(38)28(17-37-18-31-35-36-37)16-24(34-41-28)20-6-5-7-21(15-20)26(29)30/h3-13,15,18,32H,2,14,16-17H2,1H3,(H3,29,30)(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	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))	BDBM50079254 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Cn3cnnn3)CC(=NO2)c2cccc(c2)C(N)=N)cc1 |c:30| Show InChI InChI=1S/C28H29N9O4S/c1-2-14-32-42(39,40)25-9-4-3-8-23(25)19-10-12-22(13-11-19)33-27(38)28(17-37-18-31-35-36-37)16-24(34-41-28)20-6-5-7-21(15-20)26(29)30/h3-13,15,18,32H,2,14,16-17H2,1H3,(H3,29,30)(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 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