BDBM50079248 3-(3-Carbamimidoyl-phenyl)-5-ethoxymethyl-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide; TFA::CHEMBL328577

SMILES: CCOCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=CAVVVGRCMBUNHS-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 = 50079248   

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))	BDBM50079248 (3-(3-Carbamimidoyl-phenyl)-5-ethoxymethyl-4,5-dihy...) Show SMILES CCOCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O |c:6| Show InChI InChI=1S/C24H25N7O5S/c1-2-35-14-24(11-19(31-36-24)15-6-5-7-16(10-15)21(25)26)22(32)30-23-28-12-17(13-29-23)18-8-3-4-9-20(18)37(27,33)34/h3-10,12-13H,2,11,14H2,1H3,(H3,25,26)(H2,27,33,34)(H,28,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	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))	BDBM50079248 (3-(3-Carbamimidoyl-phenyl)-5-ethoxymethyl-4,5-dihy...) Show SMILES CCOCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O |c:6| Show InChI InChI=1S/C24H25N7O5S/c1-2-35-14-24(11-19(31-36-24)15-6-5-7-16(10-15)21(25)26)22(32)30-23-28-12-17(13-29-23)18-8-3-4-9-20(18)37(27,33)34/h3-10,12-13H,2,11,14H2,1H3,(H3,25,26)(H2,27,33,34)(H,28,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	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))	BDBM50079248 (3-(3-Carbamimidoyl-phenyl)-5-ethoxymethyl-4,5-dihy...) Show SMILES CCOCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O |c:6| Show InChI InChI=1S/C24H25N7O5S/c1-2-35-14-24(11-19(31-36-24)15-6-5-7-16(10-15)21(25)26)22(32)30-23-28-12-17(13-29-23)18-8-3-4-9-20(18)37(27,33)34/h3-10,12-13H,2,11,14H2,1H3,(H3,25,26)(H2,27,33,34)(H,28,29,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.10E+4	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