BDBM50079253 3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide; TFA::CHEMBL1183989::CHEMBL327331

SMILES: NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=IGNSBDLQAZHCTR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50079253   

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))	BDBM50079253 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C23H21N11O4S/c24-20(25)15-5-3-4-14(8-15)18-9-23(38-31-18,12-34-13-29-32-33-34)21(35)30-22-27-10-16(11-28-22)17-6-1-2-7-19(17)39(26,36)37/h1-8,10-11,13H,9,12H2,(H3,24,25)(H2,26,36,37)(H,27,28,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	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
Coagulation factor X (Homo sapiens (Human))	BDBM50079253 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C23H21N11O4S/c24-20(25)15-5-3-4-14(8-15)18-9-23(38-31-18,12-34-13-29-32-33-34)21(35)30-22-27-10-16(11-28-22)17-6-1-2-7-19(17)39(26,36)37/h1-8,10-11,13H,9,12H2,(H3,24,25)(H2,26,36,37)(H,27,28,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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))	BDBM50079253 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C23H21N11O4S/c24-20(25)15-5-3-4-14(8-15)18-9-23(38-31-18,12-34-13-29-32-33-34)21(35)30-22-27-10-16(11-28-22)17-6-1-2-7-19(17)39(26,36)37/h1-8,10-11,13H,9,12H2,(H3,24,25)(H2,26,36,37)(H,27,28,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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))	BDBM50079253 (3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...) Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O |t:10| Show InChI InChI=1S/C23H21N11O4S/c24-20(25)15-5-3-4-14(8-15)18-9-23(38-31-18,12-34-13-29-32-33-34)21(35)30-22-27-10-16(11-28-22)17-6-1-2-7-19(17)39(26,36)37/h1-8,10-11,13H,9,12H2,(H3,24,25)(H2,26,36,37)(H,27,28,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+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