BDBM50079226 CHEMBL93536::[3-(3-Carbamimidoyl-phenyl)-5-(3'-trifluoromethyl-biphenyl-4-ylcarbamoyl)-4,5-dihydro-isoxazol-5-yl]-acetic acid methyl ester; TFA

SMILES: COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=CYIHQXLEOTZMGQ-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 = 50079226   

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))	BDBM50079226 (CHEMBL93536 | [3-(3-Carbamimidoyl-phenyl)-5-(3'-tr...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F |c:7| Show InChI InChI=1S/C27H23F3N4O4/c1-37-23(35)15-26(14-22(34-38-26)18-5-2-6-19(12-18)24(31)32)25(36)33-21-10-8-16(9-11-21)17-4-3-7-20(13-17)27(28,29)30/h2-13H,14-15H2,1H3,(H3,31,32)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	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 to purified human coagulation factor Xa (FXa)				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50079226 (CHEMBL93536 | [3-(3-Carbamimidoyl-phenyl)-5-(3'-tr...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F |c:7| Show InChI InChI=1S/C27H23F3N4O4/c1-37-23(35)15-26(14-22(34-38-26)18-5-2-6-19(12-18)24(31)32)25(36)33-21-10-8-16(9-11-21)17-4-3-7-20(13-17)27(28,29)30/h2-13H,14-15H2,1H3,(H3,31,32)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description The binding affinity was measured towards human purified trypsin				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079226 (CHEMBL93536 | [3-(3-Carbamimidoyl-phenyl)-5-(3'-tr...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F |c:7| Show InChI InChI=1S/C27H23F3N4O4/c1-37-23(35)15-26(14-22(34-38-26)18-5-2-6-19(12-18)24(31)32)25(36)33-21-10-8-16(9-11-21)17-4-3-7-20(13-17)27(28,29)30/h2-13H,14-15H2,1H3,(H3,31,32)(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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 The binding affinity towards thrombin obtained from human purified enzymes.				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair