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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ghrelin receptor 1a (GHS-R1a E124Q)' AND taxid = 9606   
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
Ghrelin receptor 1a (GHS-R1a E124Q)


(Homo sapiens (Human))
BDBM212438
PNG
(SPA | Substance P [DArg1, DTrp5,7,9, Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C81H110N20O12/c1-46(2)37-61(70(85)103)94-72(105)62(38-47(3)4)95-75(108)65(41-50-44-90-57-26-12-9-22-53(50)57)98-73(106)63(39-48-19-6-5-7-20-48)96-76(109)64(40-49-43-89-56-25-11-8-21-52(49)56)97-71(104)59(31-32-69(84)102)92-74(107)66(42-51-45-91-58-27-13-10-23-54(51)58)99-78(111)68-30-18-36-101(68)80(113)60(28-14-15-33-82)93-77(110)67-29-17-35-100(67)79(112)55(83)24-16-34-88-81(86)87/h5-13,19-23,25-27,43-47,55,59-68,89-91H,14-18,24,28-42,82-83H2,1-4H3,(H2,84,102)(H2,85,103)(H,92,107)(H,93,110)(H,94,105)(H,95,108)(H,96,109)(H,97,104)(H,98,106)(H,99,111)(H4,86,87,88)/t55-,59+,60+,61+,62+,63+,64-,65-,66-,67+,68+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
852n/an/an/an/an/an/an/an/a



Université Montpellier 1



Assay Description
Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...


J Biol Chem 288: 24656-65 (2013)


Article DOI: 10.1074/jbc.M113.453423
BindingDB Entry DOI: 10.7270/Q2F18XKT
More data for this
Ligand-Target Pair
Ghrelin receptor 1a (GHS-R1a E124Q)


(Homo sapiens (Human))
BDBM212437
PNG
(JMV 3011)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2C(Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)c(OC)c1
Show InChI InChI=1S/C37H35N7O3/c1-46-27-16-14-25(34(20-27)47-2)23-44-35(17-15-24-21-39-30-11-5-3-9-28(24)30)42-43-36(44)33(41-37(45)32-13-7-8-18-38-32)19-26-22-40-31-12-6-4-10-29(26)31/h3-14,16,18,20-22,33,39-40H,15,17,19,23H2,1-2H3,(H,41,45)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
915n/an/an/an/an/an/an/an/a



Université Montpellier 1



Assay Description
Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...


J Biol Chem 288: 24656-65 (2013)


Article DOI: 10.1074/jbc.M113.453423
BindingDB Entry DOI: 10.7270/Q2F18XKT
More data for this
Ligand-Target Pair
Ghrelin receptor 1a (GHS-R1a E124Q)


(Homo sapiens (Human))
BDBM212436
PNG
(JMV 3002 | N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2C(Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)c(OC)c1
Show InChI InChI=1S/C35H34N6O3/c1-43-27-17-16-25(32(21-27)44-2)23-41-33(18-15-24-10-4-3-5-11-24)39-40-34(41)31(38-35(42)30-14-8-9-19-36-30)20-26-22-37-29-13-7-6-12-28(26)29/h3-14,16-17,19,21-22,31,37H,15,18,20,23H2,1-2H3,(H,38,42)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
993n/an/an/an/an/an/an/an/a



Université Montpellier 1



Assay Description
Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...


J Biol Chem 288: 24656-65 (2013)


Article DOI: 10.1074/jbc.M113.453423
BindingDB Entry DOI: 10.7270/Q2F18XKT
More data for this
Ligand-Target Pair