Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 501.6 BDBM50328539

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

Found 4 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))	BDBM50328539 (2-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5-ter...) Show SMILES CC(C)(C)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C30H39N5O2/c1-29(2,3)25-19-32-26(34-25)24-12-9-17-35(24)27(36)23(33-28(37)30(4,5)31)18-20-13-15-22(16-14-20)21-10-7-6-8-11-21/h6-8,10-11,13-16,19,23-24H,9,12,17-18,31H2,1-5H3,(H,32,34)(H,33,37)/t23-,24-/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	2	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
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50328539 (2-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5-ter...) Show SMILES CC(C)(C)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C30H39N5O2/c1-29(2,3)25-19-32-26(34-25)24-12-9-17-35(24)27(36)23(33-28(37)30(4,5)31)18-20-13-15-22(16-14-20)21-10-7-6-8-11-21/h6-8,10-11,13-16,19,23-24H,9,12,17-18,31H2,1-5H3,(H,32,34)(H,33,37)/t23-,24-/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 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 (Mus musculus)	BDBM50328539 (2-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5-ter...) Show SMILES CC(C)(C)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C30H39N5O2/c1-29(2,3)25-19-32-26(34-25)24-12-9-17-35(24)27(36)23(33-28(37)30(4,5)31)18-20-13-15-22(16-14-20)21-10-7-6-8-11-21/h6-8,10-11,13-16,19,23-24H,9,12,17-18,31H2,1-5H3,(H,32,34)(H,33,37)/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 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
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50328539 (2-Amino-N-{(2S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5-ter...) Show SMILES CC(C)(C)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C30H39N5O2/c1-29(2,3)25-19-32-26(34-25)24-12-9-17-35(24)27(36)23(33-28(37)30(4,5)31)18-20-13-15-22(16-14-20)21-10-7-6-8-11-21/h6-8,10-11,13-16,19,23-24H,9,12,17-18,31H2,1-5H3,(H,32,34)(H,33,37)/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 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