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BDBM50006194 CHEMBL48481::{1-[1-(1-Cyclohexylmethyl-2-hydroxy-5-methyl-4-pentanoylamino-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CCCCC(=O)N[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C

InChI Key: InChIKey=GHFCLDOTGDMEKT-LJADHVKFSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006194   
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))
BDBM50006194
PNG
(CHEMBL48481 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CCCCC(=O)N[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C39H62N6O6/c1-7-8-19-35(47)42-30(26(2)3)23-34(46)31(20-27-15-11-9-12-16-27)43-37(49)33(22-29-24-40-25-41-29)44-36(48)32(21-28-17-13-10-14-18-28)45-38(50)51-39(4,5)6/h10,13-14,17-18,24-27,30-34,46H,7-9,11-12,15-16,19-23H2,1-6H3,(H,40,41)(H,42,47)(H,43,49)(H,44,48)(H,45,50)/t30-,31-,32-,33-,34-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human plasma renin at a pH of 7.4


J Med Chem 35: 1735-46 (1992)


Article DOI: 10.1021/jm00088a007
BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50006194
PNG
(CHEMBL48481 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CCCCC(=O)N[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C39H62N6O6/c1-7-8-19-35(47)42-30(26(2)3)23-34(46)31(20-27-15-11-9-12-16-27)43-37(49)33(22-29-24-40-25-41-29)44-36(48)32(21-28-17-13-10-14-18-28)45-38(50)51-39(4,5)6/h10,13-14,17-18,24-27,30-34,46H,7-9,11-12,15-16,19-23H2,1-6H3,(H,40,41)(H,42,47)(H,43,49)(H,44,48)(H,45,50)/t30-,31-,32-,33-,34-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro activity against human renin (pH 6.0)


J Med Chem 35: 1735-46 (1992)


Article DOI: 10.1021/jm00088a007
BindingDB Entry DOI: 10.7270/Q27943MQ
More data for this
Ligand-Target Pair