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BDBM50014137 6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7]triazonan-1-yl)-hexanoic acid [2-(1H-indol-3-yl)-1-(3-methyl-butylcarbamoyl)-ethyl]-amide::CHEMBL2370009

SMILES: CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O

InChI Key: InChIKey=NOBOVSPVCBRGHF-CUPIEXAXSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50014137   
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))
BDBM50014137
PNG
(6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C39H55N7O5/c1-25(2)17-19-41-36(48)31(22-28-23-42-30-15-9-8-14-29(28)30)45-37(49)34(16-10-11-18-40)46-38(50)32(20-26(3)4)43-24-35(47)44-33(39(46)51)21-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-34,42-43H,10-11,16-22,24,40H2,1-4H3,(H,41,48)(H,44,47)(H,45,49)/t31-,32-,33-,34-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014137
PNG
(6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C39H55N7O5/c1-25(2)17-19-41-36(48)31(22-28-23-42-30-15-9-8-14-29(28)30)45-37(49)34(16-10-11-18-40)46-38(50)32(20-26(3)4)43-24-35(47)44-33(39(46)51)21-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-34,42-43H,10-11,16-22,24,40H2,1-4H3,(H,41,48)(H,44,47)(H,45,49)/t31-,32-,33-,34-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Porcine renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair