BDBM50079256 3-(3-Carbamimidoyl-phenyl)-5-isobutoxymethyl-4,5-dihydro-isoxazole-5-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL328451

SMILES: CC(C)COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=BRDWSYKDGOVQJG-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 = 50079256   

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))	BDBM50079256 (3-(3-Carbamimidoyl-phenyl)-5-isobutoxymethyl-4,5-d...) Show SMILES CC(C)COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C28H31N5O5S/c1-18(2)16-37-17-28(15-24(33-38-28)20-6-5-7-21(14-20)26(29)30)27(34)32-22-12-10-19(11-13-22)23-8-3-4-9-25(23)39(31,35)36/h3-14,18H,15-17H2,1-2H3,(H3,29,30)(H,32,34)(H2,31,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	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))	BDBM50079256 (3-(3-Carbamimidoyl-phenyl)-5-isobutoxymethyl-4,5-d...) Show SMILES CC(C)COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C28H31N5O5S/c1-18(2)16-37-17-28(15-24(33-38-28)20-6-5-7-21(14-20)26(29)30)27(34)32-22-12-10-19(11-13-22)23-8-3-4-9-25(23)39(31,35)36/h3-14,18H,15-17H2,1-2H3,(H3,29,30)(H,32,34)(H2,31,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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))	BDBM50079256 (3-(3-Carbamimidoyl-phenyl)-5-isobutoxymethyl-4,5-d...) Show SMILES CC(C)COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C28H31N5O5S/c1-18(2)16-37-17-28(15-24(33-38-28)20-6-5-7-21(14-20)26(29)30)27(34)32-22-12-10-19(11-13-22)23-8-3-4-9-25(23)39(31,35)36/h3-14,18H,15-17H2,1-2H3,(H3,29,30)(H,32,34)(H2,31,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+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