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BDBM50282597 (3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{(S)-2-[4-(3-oxo-2,3-dihydro-pyrido[4,3-b][1,4]thiazin-4-yl)-butyrylamino]-3-phenyl-propionylamino}-pentanoylamino)-pentanoic acid (3-imidazol-1-yl-propyl)-amide::CHEMBL24315

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)CSc2ccncc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1

InChI Key: InChIKey=IFRIKYZYDZSYCR-SZHYKVQFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282597   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50282597
PNG
((3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)CSc2ccncc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C43H60N8O6S/c1-30(2)23-34(42(56)48-33(24-31-11-5-3-6-12-31)37(52)26-40(54)46-17-10-20-50-22-19-45-29-50)49-43(57)35(25-32-13-7-4-8-14-32)47-39(53)15-9-21-51-36-27-44-18-16-38(36)58-28-41(51)55/h4,7-8,13-14,16,18-19,22,27,29-31,33-35,37,52H,3,5-6,9-12,15,17,20-21,23-26,28H2,1-2H3,(H,46,54)(H,47,53)(H,48,56)(H,49,57)/t33-,34-,35-,37-/m0/s1
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Similars

Article
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 65.0


Bioorg Med Chem Lett 4: 1291-1296 (1994)


Article DOI: 10.1016/S0960-894X(01)80347-4
BindingDB Entry DOI: 10.7270/Q2C8297D
More data for this
Ligand-Target Pair