BDBM50365013 CHEMBL1949687

SMILES: COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(N[C@@H](C)c2ccc(Cl)cc2)ncn1

InChI Key: InChIKey=NOZJPFNQHKLQRH-JQFCIGGWSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50365013   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50365013 (CHEMBL1949687) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(N[C@@H](C)c2ccc(Cl)cc2)ncn1 |r,wU:16.17,8.11,wD:5.4,(30.92,-23.64,;30.91,-25.18,;32.24,-25.96,;32.23,-27.5,;33.58,-25.2,;34.91,-25.98,;34.9,-27.52,;36.23,-28.31,;37.56,-27.53,;37.57,-26,;36.25,-25.22,;38.89,-28.31,;40.23,-27.54,;41.56,-28.32,;42.9,-27.55,;44.24,-28.32,;45.57,-27.54,;45.57,-26,;46.91,-28.31,;46.9,-29.85,;48.24,-30.62,;49.57,-29.85,;50.91,-30.62,;49.57,-28.3,;48.23,-27.54,;42.9,-26.01,;41.57,-25.24,;40.23,-26,)| Show InChI InChI=1S/C20H26ClN5O2/c1-13(14-3-5-15(21)6-4-14)24-18-11-19(23-12-22-18)25-16-7-9-17(10-8-16)26-20(27)28-2/h3-6,11-13,16-17H,7-10H2,1-2H3,(H,26,27)(H2,22,23,24,25)/t13-,16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse recombinant PrCP assessed as angiotensin 3 cleavage after 8 mins by LC/MS analysis				Bioorg Med Chem Lett 22: 1727-30 (2012) Article DOI: 10.1016/j.bmcl.2011.12.098 BindingDB Entry DOI: 10.7270/Q2GT5NNH
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Mus musculus)	BDBM50365013 (CHEMBL1949687) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(N[C@@H](C)c2ccc(Cl)cc2)ncn1 |r,wU:16.17,8.11,wD:5.4,(30.92,-23.64,;30.91,-25.18,;32.24,-25.96,;32.23,-27.5,;33.58,-25.2,;34.91,-25.98,;34.9,-27.52,;36.23,-28.31,;37.56,-27.53,;37.57,-26,;36.25,-25.22,;38.89,-28.31,;40.23,-27.54,;41.56,-28.32,;42.9,-27.55,;44.24,-28.32,;45.57,-27.54,;45.57,-26,;46.91,-28.31,;46.9,-29.85,;48.24,-30.62,;49.57,-29.85,;50.91,-30.62,;49.57,-28.3,;48.23,-27.54,;42.9,-26.01,;41.57,-25.24,;40.23,-26,)| Show InChI InChI=1S/C20H26ClN5O2/c1-13(14-3-5-15(21)6-4-14)24-18-11-19(23-12-22-18)25-16-7-9-17(10-8-16)26-20(27)28-2/h3-6,11-13,16-17H,7-10H2,1-2H3,(H,26,27)(H2,22,23,24,25)/t13-,16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by fluorescence analysis				Bioorg Med Chem Lett 22: 1727-30 (2012) Article DOI: 10.1016/j.bmcl.2011.12.098 BindingDB Entry DOI: 10.7270/Q2GT5NNH
					More data for this Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase (Homo sapiens (Human))	BDBM50365013 (CHEMBL1949687) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(N[C@@H](C)c2ccc(Cl)cc2)ncn1 |r,wU:16.17,8.11,wD:5.4,(30.92,-23.64,;30.91,-25.18,;32.24,-25.96,;32.23,-27.5,;33.58,-25.2,;34.91,-25.98,;34.9,-27.52,;36.23,-28.31,;37.56,-27.53,;37.57,-26,;36.25,-25.22,;38.89,-28.31,;40.23,-27.54,;41.56,-28.32,;42.9,-27.55,;44.24,-28.32,;45.57,-27.54,;45.57,-26,;46.91,-28.31,;46.9,-29.85,;48.24,-30.62,;49.57,-29.85,;50.91,-30.62,;49.57,-28.3,;48.23,-27.54,;42.9,-26.01,;41.57,-25.24,;40.23,-26,)| Show InChI InChI=1S/C20H26ClN5O2/c1-13(14-3-5-15(21)6-4-14)24-18-11-19(23-12-22-18)25-16-7-9-17(10-8-16)26-20(27)28-2/h3-6,11-13,16-17H,7-10H2,1-2H3,(H,26,27)(H2,22,23,24,25)/t13-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by fluorescence analysis				Bioorg Med Chem Lett 22: 1727-30 (2012) Article DOI: 10.1016/j.bmcl.2011.12.098 BindingDB Entry DOI: 10.7270/Q2GT5NNH
					More data for this Ligand-Target Pair