Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 461.3 BDBM50338016

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

Found 2 hits 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))	BDBM50338016 ((S)-3-(4-(1H-pyrazol-4-yl)piperidin-1-yl)-1-(2-(5,...) Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1cn[nH]c1 |r| Show InChI InChI=1S/C22H26Cl2N6O/c23-16-10-18-19(11-17(16)24)28-22(27-18)20-2-1-6-30(20)21(31)5-9-29-7-3-14(4-8-29)15-12-25-26-13-15/h10-14,20H,1-9H2,(H,25,26)(H,27,28)/t20-/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	22	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
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50338016 ((S)-3-(4-(1H-pyrazol-4-yl)piperidin-1-yl)-1-(2-(5,...) Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1cn[nH]c1 |r| Show InChI InChI=1S/C22H26Cl2N6O/c23-16-10-18-19(11-17(16)24)28-22(27-18)20-2-1-6-30(20)21(31)5-9-29-7-3-14(4-8-29)15-12-25-26-13-15/h10-14,20H,1-9H2,(H,25,26)(H,27,28)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse PrCP				Bioorg Med Chem Lett 21: 1299-305 (2011) Article DOI: 10.1016/j.bmcl.2011.01.090 BindingDB Entry DOI: 10.7270/Q2VX0GSS
					More data for this Ligand-Target Pair