BDBM50296435 2-(4-benzyl-5-(3-methylphenethyl)-4H-1,2,4-triazol-3-ylthio)acetic acid::CHEMBL550865

SMILES: Cc1cccc(CCc2nnc(SCC(O)=O)n2Cc2ccccc2)c1

InChI Key: InChIKey=MDMVPCRIAADUHD-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 = 50296435   

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
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296435 (2-(4-benzyl-5-(3-methylphenethyl)-4H-1,2,4-triazol...) Show SMILES Cc1cccc(CCc2nnc(SCC(O)=O)n2Cc2ccccc2)c1 Show InChI InChI=1S/C20H21N3O2S/c1-15-6-5-9-16(12-15)10-11-18-21-22-20(26-14-19(24)25)23(18)13-17-7-3-2-4-8-17/h2-9,12H,10-11,13-14H2,1H3,(H,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.70E+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
Thrombin-activatable fibrinolysis (TAFI) (Homo sapiens (Human))	BDBM50296435 (2-(4-benzyl-5-(3-methylphenethyl)-4H-1,2,4-triazol...) Show SMILES Cc1cccc(CCc2nnc(SCC(O)=O)n2Cc2ccccc2)c1 Show InChI InChI=1S/C20H21N3O2S/c1-15-6-5-9-16(12-15)10-11-18-21-22-20(26-14-19(24)25)23(18)13-17-7-3-2-4-8-17/h2-9,12H,10-11,13-14H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.96E+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 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 A1 (Bos taurus (bovine))	BDBM50296435 (2-(4-benzyl-5-(3-methylphenethyl)-4H-1,2,4-triazol...) Show SMILES Cc1cccc(CCc2nnc(SCC(O)=O)n2Cc2ccccc2)c1 Show InChI InChI=1S/C20H21N3O2S/c1-15-6-5-9-16(12-15)10-11-18-21-22-20(26-14-19(24)25)23(18)13-17-7-3-2-4-8-17/h2-9,12H,10-11,13-14H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.17E+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