Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.3 BDBM50338019

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50338019 ((S)-3-(4-(2H-1,2,3-triazol-2-yl)piperidin-1-yl)-1-...) Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)n1nccn1 |r| Show InChI InChI=1S/C21H25Cl2N7O/c22-15-12-17-18(13-16(15)23)27-21(26-17)19-2-1-8-29(19)20(31)5-11-28-9-3-14(4-10-28)30-24-6-7-25-30/h6-7,12-14,19H,1-5,8-11H2,(H,26,27)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PrCP				Bioorg Med Chem Lett 21: 1299-305 (2011) Article DOI: 10.1016/j.bmcl.2011.01.090 BindingDB Entry DOI: 10.7270/Q2VX0GSS
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