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BDBM50024215 2-[1-(2-(1H-Imidazol-4-yl)-1-{3-methyl-1-[(2-methyl-1-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-propylamino)-methyl]-butylcarbamoyl}-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-methyl-pyrrolidine-1-carboxylic acid tert-butyl ester::CHEMBL262818::CHEMBL3143431

SMILES: CCC(C)C(NC(=O)C(NCC(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1

InChI Key: InChIKey=XFIWUSWMYFHSHD-DBTHZASYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024215   
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))
BDBM50024215
PNG
(2-[1-(2-(1H-Imidazol-4-yl)-1-{3-methyl-1-[(2-methy...)
Show SMILES CCC(C)C(NC(=O)C(NCC(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C49H74N10O7/c1-11-33(6)41(44(62)53-28-35-20-15-16-22-51-35)58-45(63)40(32(4)5)52-29-37(24-31(2)3)55-42(60)39(26-36-27-50-30-54-36)56-43(61)38(25-34-18-13-12-14-19-34)57-46(64)49(10)21-17-23-59(49)47(65)66-48(7,8)9/h12-16,18-20,22,27,30-33,37-41,52H,11,17,21,23-26,28-29H2,1-10H3,(H,50,54)(H,53,62)(H,55,60)(H,56,61)(H,57,64)(H,58,63)/t33?,37?,38?,39?,40?,41?,49-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against human plasma renin.


J Med Chem 30: 536-41 (1987)


Article DOI: 10.1021/jm00386a016
BindingDB Entry DOI: 10.7270/Q2V988PS
More data for this
Ligand-Target Pair