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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Growth hormone secretagogue receptor type 1' and Ligand = 'BDBM50396916'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50396916
PNG
(CHEMBL2170780)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r|
Show InChI InChI=1S/C51H67N9O6/c1-31(2)25-41(46(54)61)56-48(63)42(26-32(3)4)58-50(65)44(28-35-19-14-18-34-17-8-9-20-37(34)35)60-49(64)43(27-33-15-6-5-7-16-33)59-51(66)45(57-47(62)39(53)22-12-13-24-52)29-36-30-55-40-23-11-10-21-38(36)40/h5-11,14-21,23,30-32,39,41-45,55H,12-13,22,24-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,65)(H,59,66)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1
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PC cid
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Similars

Article
PubMed
247n/an/an/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay


J Med Chem 55: 7437-49 (2012)


Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50396916
PNG
(CHEMBL2170780)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O |r|
Show InChI InChI=1S/C51H67N9O6/c1-31(2)25-41(46(54)61)56-48(63)42(26-32(3)4)58-50(65)44(28-35-19-14-18-34-17-8-9-20-37(34)35)60-49(64)43(27-33-15-6-5-7-16-33)59-51(66)45(57-47(62)39(53)22-12-13-24-52)29-36-30-55-40-23-11-10-21-38(36)40/h5-11,14-21,23,30-32,39,41-45,55H,12-13,22,24-29,52-53H2,1-4H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,65)(H,59,66)(H,60,64)/t39-,41-,42-,43-,44+,45+/m0/s1
PDB

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UniChem

Similars

Article
PubMed
n/an/an/an/a 17.9n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor expressed in COS 7 cells using [2-3H]myo-inositol by inositol triphosphate turnover assay


J Med Chem 55: 7437-49 (2012)


Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8
More data for this
Ligand-Target Pair