Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 623.5 BDBM50338037

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))	BDBM50338037 ((S)-3-(4-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-1-eth...) Show SMILES CCn1nc(Cc2ccc3OCOc3c2)cc1C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r| Show InChI InChI=1S/C32H36Cl2N6O3/c1-2-40-28(16-22(37-40)14-20-5-6-29-30(15-20)43-19-42-29)21-7-11-38(12-8-21)13-9-31(41)39-10-3-4-27(39)32-35-25-17-23(33)24(34)18-26(25)36-32/h5-6,15-18,21,27H,2-4,7-14,19H2,1H3,(H,35,36)/t27-/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	7	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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