Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 578.5 BDBM50328537

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))	BDBM50328537 (3-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5,6-d...) Show SMILES CC(C)(CN)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r| Show InChI InChI=1S/C31H33Cl2N5O2/c1-31(2,18-34)30(40)37-26(15-19-10-12-21(13-11-19)20-7-4-3-5-8-20)29(39)38-14-6-9-27(38)28-35-24-16-22(32)23(33)17-25(24)36-28/h3-5,7-8,10-13,16-17,26-27H,6,9,14-15,18,34H2,1-2H3,(H,35,36)(H,37,40)/t26-,27-/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	3	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))	BDBM50328537 (3-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5,6-d...) Show SMILES CC(C)(CN)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r| Show InChI InChI=1S/C31H33Cl2N5O2/c1-31(2,18-34)30(40)37-26(15-19-10-12-21(13-11-19)20-7-4-3-5-8-20)29(39)38-14-6-9-27(38)28-35-24-16-22(32)23(33)17-25(24)36-28/h3-5,7-8,10-13,16-17,26-27H,6,9,14-15,18,34H2,1-2H3,(H,35,36)(H,37,40)/t26-,27-/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 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