BDBM50079257 3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4,5-dihydro-isoxazole-5-carboxylic acid (3-chloro-2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL323309

SMILES: NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=UXJUUBCVRGQKNE-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 = 50079257   

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))	BDBM50079257 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C25H22ClN9O4S/c26-19-11-15(18-6-1-2-7-22(18)40(29,37)38)8-9-20(19)31-24(36)25(13-35-14-30-33-34-35)12-21(32-39-25)16-4-3-5-17(10-16)23(27)28/h1-11,14H,12-13H2,(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	0.150	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))	BDBM50079257 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C25H22ClN9O4S/c26-19-11-15(18-6-1-2-7-22(18)40(29,37)38)8-9-20(19)31-24(36)25(13-35-14-30-33-34-35)12-21(32-39-25)16-4-3-5-17(10-16)23(27)28/h1-11,14H,12-13H2,(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	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))	BDBM50079257 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C25H22ClN9O4S/c26-19-11-15(18-6-1-2-7-22(18)40(29,37)38)8-9-20(19)31-24(36)25(13-35-14-30-33-34-35)12-21(32-39-25)16-4-3-5-17(10-16)23(27)28/h1-11,14H,12-13H2,(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