BDBM50328858 (3R,4S)-N-(2-chloro-5-(2-(ethylamino)-2-oxoethyl)benzyl)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamide::CHEMBL1269686

SMILES: CCNC(=O)Cc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1

InChI Key: InChIKey=TVMDRXNOEWPGJS-WDYNHAJCSA-N

Data: 4 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 4 hits for monomerid = 50328858   

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
Renin (Homo sapiens (Human))	BDBM50328858 ((3R,4S)-N-(2-chloro-5-(2-(ethylamino)-2-oxoethyl)b...) Show SMILES CCNC(=O)Cc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H40Cl3N3O4/c1-3-40-33(42)19-23-4-11-30(36)25(18-23)21-41(26-7-8-26)35(43)29-20-39-13-12-28(29)24-5-9-27(10-6-24)44-14-15-45-34-31(37)16-22(2)17-32(34)38/h4-6,9-11,16-18,26,28-29,39H,3,7-8,12-15,19-21H2,1-2H3,(H,40,42)/t28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in plasma				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328858 ((3R,4S)-N-(2-chloro-5-(2-(ethylamino)-2-oxoethyl)b...) Show SMILES CCNC(=O)Cc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H40Cl3N3O4/c1-3-40-33(42)19-23-4-11-30(36)25(18-23)21-41(26-7-8-26)35(43)29-20-39-13-12-28(29)24-5-9-27(10-6-24)44-14-15-45-34-31(37)16-22(2)17-32(34)38/h4-6,9-11,16-18,26,28-29,39H,3,7-8,12-15,19-21H2,1-2H3,(H,40,42)/t28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in plasma				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50328858 ((3R,4S)-N-(2-chloro-5-(2-(ethylamino)-2-oxoethyl)b...) Show SMILES CCNC(=O)Cc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H40Cl3N3O4/c1-3-40-33(42)19-23-4-11-30(36)25(18-23)21-41(26-7-8-26)35(43)29-20-39-13-12-28(29)24-5-9-27(10-6-24)44-14-15-45-34-31(37)16-22(2)17-32(34)38/h4-6,9-11,16-18,26,28-29,39H,3,7-8,12-15,19-21H2,1-2H3,(H,40,42)/t28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using testosterone as substrate				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50328858 ((3R,4S)-N-(2-chloro-5-(2-(ethylamino)-2-oxoethyl)b...) Show SMILES CCNC(=O)Cc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H40Cl3N3O4/c1-3-40-33(42)19-23-4-11-30(36)25(18-23)21-41(26-7-8-26)35(43)29-20-39-13-12-28(29)24-5-9-27(10-6-24)44-14-15-45-34-31(37)16-22(2)17-32(34)38/h4-6,9-11,16-18,26,28-29,39H,3,7-8,12-15,19-21H2,1-2H3,(H,40,42)/t28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using midazolam as substrate				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair