BDBM50014083 (R)-2-Benzyl-4-((3R,4S)-3,4-bis-methoxymethoxy-pyrrolidin-1-yl)-N-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-4-oxo-butyramide::CHEMBL59887

SMILES: CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1C[C@@H](OCOC)[C@H](C1)OCOC)Cc1ccccc1

InChI Key: InChIKey=XDZOMKZUBUHOHZ-MSXNJZMTSA-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 = 50014083   

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))	BDBM50014083 ((R)-2-Benzyl-4-((3R,4S)-3,4-bis-methoxymethoxy-pyr...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1C[C@@H](OCOC)[C@H](C1)OCOC)Cc1ccccc1 Show InChI InChI=1S/C39H58N6O10/c1-4-44-22-34(55-39(44)50)36(47)30(16-27-13-9-6-10-14-27)42-38(49)31(18-29-19-40-23-41-29)43-37(48)28(15-26-11-7-5-8-12-26)17-35(46)45-20-32(53-24-51-2)33(21-45)54-25-52-3/h5,7-8,11-12,19,23,27-28,30-34,36,47H,4,6,9-10,13-18,20-22,24-25H2,1-3H3,(H,40,41)(H,42,49)(H,43,48)/t28-,30+,31+,32-,33+,34+,36-/m1/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	2.70	n/a	n/a	n/a	n/a	6.5	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against purified human renal renin at pH 6.5				J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50014083 ((R)-2-Benzyl-4-((3R,4S)-3,4-bis-methoxymethoxy-pyr...) Show SMILES CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1C[C@@H](OCOC)[C@H](C1)OCOC)Cc1ccccc1 Show InChI InChI=1S/C39H58N6O10/c1-4-44-22-34(55-39(44)50)36(47)30(16-27-13-9-6-10-14-27)42-38(49)31(18-29-19-40-23-41-29)43-37(48)28(15-26-11-7-5-8-12-26)17-35(46)45-20-32(53-24-51-2)33(21-45)54-25-52-3/h5,7-8,11-12,19,23,27-28,30-34,36,47H,4,6,9-10,13-18,20-22,24-25H2,1-3H3,(H,40,41)(H,42,49)(H,43,48)/t28-,30+,31+,32-,33+,34+,36-/m1/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	11	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin at pH 7.4				J Med Chem 33: 1962-9 (1990) BindingDB Entry DOI: 10.7270/Q2KW5GN2
					More data for this Ligand-Target Pair