Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 502.4 BDBM50328524

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))	BDBM50328524 (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)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C25H29Cl2N5O2/c1-14(15-8-5-4-6-9-15)21(31-24(34)25(2,3)28)23(33)32-11-7-10-20(32)22-29-18-12-16(26)17(27)13-19(18)30-22/h4-6,8-9,12-14,20-21H,7,10-11,28H2,1-3H3,(H,29,30)(H,31,34)/t14-,20-,21-/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	5	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))	BDBM50328524 (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)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C25H29Cl2N5O2/c1-14(15-8-5-4-6-9-15)21(31-24(34)25(2,3)28)23(33)32-11-7-10-20(32)22-29-18-12-16(26)17(27)13-19(18)30-22/h4-6,8-9,12-14,20-21H,7,10-11,28H2,1-3H3,(H,29,30)(H,31,34)/t14-,20-,21-/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	10	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 (Mus musculus)	BDBM50328524 (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)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C25H29Cl2N5O2/c1-14(15-8-5-4-6-9-15)21(31-24(34)25(2,3)28)23(33)32-11-7-10-20(32)22-29-18-12-16(26)17(27)13-19(18)30-22/h4-6,8-9,12-14,20-21H,7,10-11,28H2,1-3H3,(H,29,30)(H,31,34)/t14-,20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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 (Mus musculus)	BDBM50328524 (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)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C25H29Cl2N5O2/c1-14(15-8-5-4-6-9-15)21(31-24(34)25(2,3)28)23(33)32-11-7-10-20(32)22-29-18-12-16(26)17(27)13-19(18)30-22/h4-6,8-9,12-14,20-21H,7,10-11,28H2,1-3H3,(H,29,30)(H,31,34)/t14-,20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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