BDBM50036976 (2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethylamino]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (2-pyridin-2-yl-ethyl)-amide::CHEMBL101075

SMILES: CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1

InChI Key: InChIKey=RPQFOGSNYUPJAG-LSLOANPCSA-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 = 50036976   

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))	BDBM50036976 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1 Show InChI InChI=1S/C44H69N5O6/c1-5-6-20-38(47-40(29-34-17-11-8-12-18-34)44(53)49-26-22-36(23-27-49)55-31-54-4)43(52)48-39(28-33-15-9-7-10-16-33)41(50)30-37(32(2)3)42(51)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,47,50H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,51)(H,48,52)/t37-,38-,39-,40-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the ferret plasma renin				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50036976 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1 Show InChI InChI=1S/C44H69N5O6/c1-5-6-20-38(47-40(29-34-17-11-8-12-18-34)44(53)49-26-22-36(23-27-49)55-31-54-4)43(52)48-39(28-33-15-9-7-10-16-33)41(50)30-37(32(2)3)42(51)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,47,50H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,51)(H,48,52)/t37-,38-,39-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the rat plasma renin				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50036976 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1 Show InChI InChI=1S/C44H69N5O6/c1-5-6-20-38(47-40(29-34-17-11-8-12-18-34)44(53)49-26-22-36(23-27-49)55-31-54-4)43(52)48-39(28-33-15-9-7-10-16-33)41(50)30-37(32(2)3)42(51)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,47,50H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,51)(H,48,52)/t37-,38-,39-,40-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the human plasma renin				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50036976 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc1ccccn1 Show InChI InChI=1S/C44H69N5O6/c1-5-6-20-38(47-40(29-34-17-11-8-12-18-34)44(53)49-26-22-36(23-27-49)55-31-54-4)43(52)48-39(28-33-15-9-7-10-16-33)41(50)30-37(32(2)3)42(51)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,47,50H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,51)(H,48,52)/t37-,38-,39-,40-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the dog plasma renin				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair