BDBM50079219 CHEMBL321314::{3-(3-Carbamimidoyl-phenyl)-5-[6-(2-sulfamoyl-phenyl)-pyridin-3-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(nc1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=WQCPZORIAYZEBO-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 = 50079219   

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))	BDBM50079219 (CHEMBL321314 | {3-(3-Carbamimidoyl-phenyl)-5-[6-(2...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(nc1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C25H24N6O6S/c1-36-22(32)13-25(12-20(31-37-25)15-5-4-6-16(11-15)23(26)27)24(33)30-17-9-10-19(29-14-17)18-7-2-3-8-21(18)38(28,34)35/h2-11,14H,12-13H2,1H3,(H3,26,27)(H,30,33)(H2,28,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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))	BDBM50079219 (CHEMBL321314 | {3-(3-Carbamimidoyl-phenyl)-5-[6-(2...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(nc1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C25H24N6O6S/c1-36-22(32)13-25(12-20(31-37-25)15-5-4-6-16(11-15)23(26)27)24(33)30-17-9-10-19(29-14-17)18-7-2-3-8-21(18)38(28,34)35/h2-11,14H,12-13H2,1H3,(H3,26,27)(H,30,33)(H2,28,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	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))	BDBM50079219 (CHEMBL321314 | {3-(3-Carbamimidoyl-phenyl)-5-[6-(2...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(nc1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C25H24N6O6S/c1-36-22(32)13-25(12-20(31-37-25)15-5-4-6-16(11-15)23(26)27)24(33)30-17-9-10-19(29-14-17)18-7-2-3-8-21(18)38(28,34)35/h2-11,14H,12-13H2,1H3,(H3,26,27)(H,30,33)(H2,28,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+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 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