Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 504.4 BDBM50328536

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))	BDBM50328536 (5,6-Dichloro-2-[(2S)-1-(2-methylalanyl-O-methyl-L-...) Show SMILES COc1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N2CC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 |r| Show InChI InChI=1S/C24H27Cl2N5O3/c1-24(2,27)23(33)30-19(10-13-4-6-14(34-3)7-5-13)22(32)31-9-8-20(31)21-28-17-11-15(25)16(26)12-18(17)29-21/h4-7,11-12,19-20H,8-10,27H2,1-3H3,(H,28,29)(H,30,33)/t19-,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	9	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)	BDBM50328536 (5,6-Dichloro-2-[(2S)-1-(2-methylalanyl-O-methyl-L-...) Show SMILES COc1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N2CC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 |r| Show InChI InChI=1S/C24H27Cl2N5O3/c1-24(2,27)23(33)30-19(10-13-4-6-14(34-3)7-5-13)22(32)31-9-8-20(31)21-28-17-11-15(25)16(26)12-18(17)29-21/h4-7,11-12,19-20H,8-10,27H2,1-3H3,(H,28,29)(H,30,33)/t19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	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))	BDBM50328536 (5,6-Dichloro-2-[(2S)-1-(2-methylalanyl-O-methyl-L-...) Show SMILES COc1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N2CC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 |r| Show InChI InChI=1S/C24H27Cl2N5O3/c1-24(2,27)23(33)30-19(10-13-4-6-14(34-3)7-5-13)22(32)31-9-8-20(31)21-28-17-11-15(25)16(26)12-18(17)29-21/h4-7,11-12,19-20H,8-10,27H2,1-3H3,(H,28,29)(H,30,33)/t19-,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	829	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)	BDBM50328536 (5,6-Dichloro-2-[(2S)-1-(2-methylalanyl-O-methyl-L-...) Show SMILES COc1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N2CC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 |r| Show InChI InChI=1S/C24H27Cl2N5O3/c1-24(2,27)23(33)30-19(10-13-4-6-14(34-3)7-5-13)22(32)31-9-8-20(31)21-28-17-11-15(25)16(26)12-18(17)29-21/h4-7,11-12,19-20H,8-10,27H2,1-3H3,(H,28,29)(H,30,33)/t19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.32E+3	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