BDBM50296417 CHEMBL561592::isopropyl 2-(4-benzyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-ylthio)acetate

SMILES: COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1Cc1ccccc1

InChI Key: InChIKey=ZCPWDBLBRRKEFS-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 = 50296417   

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
Thrombin-activatable fibrinolysis (TAFI) (Homo sapiens (Human))	BDBM50296417 (CHEMBL561592 | isopropyl 2-(4-benzyl-5-(2-methoxyp...) Show SMILES COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1Cc1ccccc1 Show InChI InChI=1S/C21H23N3O3S/c1-15(2)27-19(25)14-28-21-23-22-20(17-11-7-8-12-18(17)26-3)24(21)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296417 (CHEMBL561592 | isopropyl 2-(4-benzyl-5-(2-methoxyp...) Show SMILES COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1Cc1ccccc1 Show InChI InChI=1S/C21H23N3O3S/c1-15(2)27-19(25)14-28-21-23-22-20(17-11-7-8-12-18(17)26-3)24(21)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50296417 (CHEMBL561592 | isopropyl 2-(4-benzyl-5-(2-methoxyp...) Show SMILES COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1Cc1ccccc1 Show InChI InChI=1S/C21H23N3O3S/c1-15(2)27-19(25)14-28-21-23-22-20(17-11-7-8-12-18(17)26-3)24(21)13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of bovine carboxypeptidase A1				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair