BDBM50003173 (diastereomer-1)[1-(10-Butyl-6-cyclohexylmethyl-7-hydroxy-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester::(diastereomer-2) [1-(10-Butyl-6-cyclohexylmethyl-7-hydroxy-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester::CHEMBL333369

SMILES: CCCCC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1

InChI Key: InChIKey=DUXACQJRHUDRNF-YNAQIGMBSA-N

Data: 2 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 2 hits for monomerid = 50003173   

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))	BDBM50003173 ((diastereomer-1)[1-(10-Butyl-6-cyclohexylmethyl-7-...) Show SMILES CCCCC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 Show InChI InChI=1S/C36H55N3O9/c1-5-6-18-26-19-13-20-30(40)46-23-29(33(43)37-27(31(41)34(44)47-26)21-24-14-9-7-10-15-24)38-32(42)28(22-25-16-11-8-12-17-25)39-35(45)48-36(2,3)4/h8,11-12,16-17,24,26-29,31,41H,5-7,9-10,13-15,18-23H2,1-4H3,(H,37,43)(H,38,42)(H,39,45)/t26?,27-,28?,29-,31+/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	22	n/a	n/a	n/a	n/a	7.4	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin inhibition (at pH 7.4)				J Med Chem 35: 3755-73 (1992) BindingDB Entry DOI: 10.7270/Q26W9BPZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50003173 ((diastereomer-1)[1-(10-Butyl-6-cyclohexylmethyl-7-...) Show SMILES CCCCC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 Show InChI InChI=1S/C36H55N3O9/c1-5-6-18-26-19-13-20-30(40)46-23-29(33(43)37-27(31(41)34(44)47-26)21-24-14-9-7-10-15-24)38-32(42)28(22-25-16-11-8-12-17-25)39-35(45)48-36(2,3)4/h8,11-12,16-17,24,26-29,31,41H,5-7,9-10,13-15,18-23H2,1-4H3,(H,37,43)(H,38,42)(H,39,45)/t26?,27-,28?,29-,31+/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	180	n/a	n/a	n/a	n/a	7.4	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin inhibition (at pH 7.4)				J Med Chem 35: 3755-73 (1992) BindingDB Entry DOI: 10.7270/Q26W9BPZ
					More data for this Ligand-Target Pair