BDBM50036990 (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 (pyridin-2-ylmethyl)-amide::CHEMBL263683

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)NCc1ccccn1

InChI Key: InChIKey=NQCRFBCLDYCVON-HECCNADXSA-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 = 50036990   

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))	BDBM50036990 ((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)NCc1ccccn1 Show InChI InChI=1S/C43H67N5O6/c1-5-6-20-37(46-39(27-33-17-11-8-12-18-33)43(52)48-24-21-35(22-25-48)54-30-53-4)42(51)47-38(26-32-15-9-7-10-16-32)40(49)28-36(31(2)3)41(50)45-29-34-19-13-14-23-44-34/h8,11-14,17-19,23,31-32,35-40,46,49H,5-7,9-10,15-16,20-22,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/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	1.00E+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 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)	BDBM50036990 ((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)NCc1ccccn1 Show InChI InChI=1S/C43H67N5O6/c1-5-6-20-37(46-39(27-33-17-11-8-12-18-33)43(52)48-24-21-35(22-25-48)54-30-53-4)42(51)47-38(26-32-15-9-7-10-16-32)40(49)28-36(31(2)3)41(50)45-29-34-19-13-14-23-44-34/h8,11-14,17-19,23,31-32,35-40,46,49H,5-7,9-10,15-16,20-22,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	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))	BDBM50036990 ((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)NCc1ccccn1 Show InChI InChI=1S/C43H67N5O6/c1-5-6-20-37(46-39(27-33-17-11-8-12-18-33)43(52)48-24-21-35(22-25-48)54-30-53-4)42(51)47-38(26-32-15-9-7-10-16-32)40(49)28-36(31(2)3)41(50)45-29-34-19-13-14-23-44-34/h8,11-14,17-19,23,31-32,35-40,46,49H,5-7,9-10,15-16,20-22,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/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	75	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
Renin (Homo sapiens (Human))	BDBM50036990 ((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)NCc1ccccn1 Show InChI InChI=1S/C43H67N5O6/c1-5-6-20-37(46-39(27-33-17-11-8-12-18-33)43(52)48-24-21-35(22-25-48)54-30-53-4)42(51)47-38(26-32-15-9-7-10-16-32)40(49)28-36(31(2)3)41(50)45-29-34-19-13-14-23-44-34/h8,11-14,17-19,23,31-32,35-40,46,49H,5-7,9-10,15-16,20-22,24-30H2,1-4H3,(H,45,50)(H,47,51)/t36-,37-,38-,39-,40-/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	12	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