Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 488.4 BDBM50328526

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))	BDBM50328526 (5,6-Dichloro-2-{(2S)-1-[2-methylalanyl-(betaS)-bet...) Show SMILES C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)N1CC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C24H27Cl2N5O2/c1-13(14-7-5-4-6-8-14)20(30-23(33)24(2,3)27)22(32)31-10-9-19(31)21-28-17-11-15(25)16(26)12-18(17)29-21/h4-8,11-13,19-20H,9-10,27H2,1-3H3,(H,28,29)(H,30,33)/t13-,19-,20-/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	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PrCP by FRET				J Med Chem 53: 7251-63 (2010) Article DOI: 10.1021/jm101013m BindingDB Entry DOI: 10.7270/Q2QV3MQR
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50328526 (5,6-Dichloro-2-{(2S)-1-[2-methylalanyl-(betaS)-bet...) Show SMILES C[C@H]([C@H](NC(=O)C(C)(C)N)C(=O)N1CC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C24H27Cl2N5O2/c1-13(14-7-5-4-6-8-14)20(30-23(33)24(2,3)27)22(32)31-10-9-19(31)21-28-17-11-15(25)16(26)12-18(17)29-21/h4-8,11-13,19-20H,9-10,27H2,1-3H3,(H,28,29)(H,30,33)/t13-,19-,20-/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	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PrCP by FRET in presence of 1% mouse serum albumin				J Med Chem 53: 7251-63 (2010) Article DOI: 10.1021/jm101013m BindingDB Entry DOI: 10.7270/Q2QV3MQR
					More data for this Ligand-Target Pair