Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.5 BDBM50328530

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

Found 3 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))	BDBM50328530 (3-(Biphenyl-4-yl)-1-{2-[5-(3-fluorophenyl)-1H-imid...) Show SMILES Fc1cccc(c1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26FN3O/c29-24-9-4-8-23(18-24)25-19-30-28(31-25)26-10-5-17-32(26)27(33)16-13-20-11-14-22(15-12-20)21-6-2-1-3-7-21/h1-4,6-9,11-12,14-15,18-19,26H,5,10,13,16-17H2,(H,30,31)/t26-/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	158	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)	BDBM50328530 (3-(Biphenyl-4-yl)-1-{2-[5-(3-fluorophenyl)-1H-imid...) Show SMILES Fc1cccc(c1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26FN3O/c29-24-9-4-8-23(18-24)25-19-30-28(31-25)26-10-5-17-32(26)27(33)16-13-20-11-14-22(15-12-20)21-6-2-1-3-7-21/h1-4,6-9,11-12,14-15,18-19,26H,5,10,13,16-17H2,(H,30,31)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	871	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
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50328530 (3-(Biphenyl-4-yl)-1-{2-[5-(3-fluorophenyl)-1H-imid...) Show SMILES Fc1cccc(c1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26FN3O/c29-24-9-4-8-23(18-24)25-19-30-28(31-25)26-10-5-17-32(26)27(33)16-13-20-11-14-22(15-12-20)21-6-2-1-3-7-21/h1-4,6-9,11-12,14-15,18-19,26H,5,10,13,16-17H2,(H,30,31)/t26-/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	3.31E+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 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