Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 596.5 BDBM50338006

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))	BDBM50338006 ((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...) Show SMILES CC(C)(CCCC(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)N1CCC(CC1)c1nc(no1)-c1ccccn1 |r| Show InChI InChI=1S/C30H35Cl2N7O2/c1-30(2,38-15-10-19(11-16-38)29-36-27(37-41-29)22-7-3-4-13-33-22)12-5-9-26(40)39-14-6-8-25(39)28-34-23-17-20(31)21(32)18-24(23)35-28/h3-4,7,13,17-19,25H,5-6,8-12,14-16H2,1-2H3,(H,34,35)/t25-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PrCP				Bioorg Med Chem Lett 21: 1299-305 (2011) Article DOI: 10.1016/j.bmcl.2011.01.090 BindingDB Entry DOI: 10.7270/Q2VX0GSS
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50338006 ((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...) Show SMILES CC(C)(CCCC(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)N1CCC(CC1)c1nc(no1)-c1ccccn1 |r| Show InChI InChI=1S/C30H35Cl2N7O2/c1-30(2,38-15-10-19(11-16-38)29-36-27(37-41-29)22-7-3-4-13-33-22)12-5-9-26(40)39-14-6-8-25(39)28-34-23-17-20(31)21(32)18-24(23)35-28/h3-4,7,13,17-19,25H,5-6,8-12,14-16H2,1-2H3,(H,34,35)/t25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse PrCP				Bioorg Med Chem Lett 21: 1299-305 (2011) Article DOI: 10.1016/j.bmcl.2011.01.090 BindingDB Entry DOI: 10.7270/Q2VX0GSS
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50338006 ((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...) Show SMILES CC(C)(CCCC(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)N1CCC(CC1)c1nc(no1)-c1ccccn1 |r| Show InChI InChI=1S/C30H35Cl2N7O2/c1-30(2,38-15-10-19(11-16-38)29-36-27(37-41-29)22-7-3-4-13-33-22)12-5-9-26(40)39-14-6-8-25(39)28-34-23-17-20(31)21(32)18-24(23)35-28/h3-4,7,13,17-19,25H,5-6,8-12,14-16H2,1-2H3,(H,34,35)/t25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PrCP in mouse plasma assessed as angiotensin 3 cleavage				Bioorg Med Chem Lett 21: 1299-305 (2011) Article DOI: 10.1016/j.bmcl.2011.01.090 BindingDB Entry DOI: 10.7270/Q2VX0GSS
					More data for this Ligand-Target Pair