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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Growth hormone secretagogue receptor type 1' and Ligand = 'BDBM50094056'   
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))		BDBM50094056
PNG
(CHEMBL412799 | GSS(heptyl carbonyl)FLSPEHQRVQQRKES...)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C96H157N31O30/c1-6-7-8-9-13-25-76(139)157-48-68(125-90(152)66(46-129)111-73(134)43-98)91(153)121-63(41-52-19-11-10-12-20-52)88(150)120-62(40-50(2)3)87(149)124-67(47-130)94(156)127-39-18-24-69(127)92(154)118-61(30-35-75(137)138)84(146)122-64(42-53-44-107-49-110-53)89(151)117-58(27-32-71(100)132)82(144)114-56(23-17-38-109-96(105)106)86(148)126-77(51(4)5)93(155)119-59(28-33-72(101)133)83(145)115-57(26-31-70(99)131)81(143)113-55(22-16-37-108-95(103)104)80(142)112-54(21-14-15-36-97)79(141)116-60(29-34-74(135)136)85(147)123-65(45-128)78(102)140/h10-12,19-20,44,49-51,54-69,77,128-130H,6-9,13-18,21-43,45-48,97-98H2,1-5H3,(H2,99,131)(H2,100,132)(H2,101,133)(H2,102,140)(H,107,110)(H,111,134)(H,112,142)(H,113,143)(H,114,144)(H,115,145)(H,116,141)(H,117,151)(H,118,154)(H,119,155)(H,120,150)(H,121,153)(H,122,146)(H,123,147)(H,124,149)(H,125,152)(H,126,148)(H,135,136)(H,137,138)(H4,103,104,108)(H4,105,106,109)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,77-/m0/s1
PDB

Reactome pathway
KEGG

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Similars
PubMed
n/an/a 0.770n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled liga...

J Med Chem 43: 4370-6 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair