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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 = 'BDBM50165580'   
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))
BDBM50165580
PNG
(CHEMBL3798337)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C50H66N10O6/c1-30(2)23-38(48(62)57-44(24-31(3)4)50(64)66-6)47(61)55-42(25-33-27-53-40-16-9-7-13-36(33)40)45-58-59-46(60(45)29-32-18-20-35(65-5)21-19-32)43(56-49(63)39(52)15-11-12-22-51)26-34-28-54-41-17-10-8-14-37(34)41/h7-10,13-14,16-21,27-28,30-31,38-39,42-44,53-54H,11-12,15,22-26,29,51-52H2,1-6H3,(H,55,61)(H,56,63)(H,57,62)/t38?,39-,42+,43+,44-/m0/s1
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Similars

Article
PubMed
220 -38.0n/an/an/an/an/an/a25



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165580
PNG
(CHEMBL3798337)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C50H66N10O6/c1-30(2)23-38(48(62)57-44(24-31(3)4)50(64)66-6)47(61)55-42(25-33-27-53-40-16-9-7-13-36(33)40)45-58-59-46(60(45)29-32-18-20-35(65-5)21-19-32)43(56-49(63)39(52)15-11-12-22-51)26-34-28-54-41-17-10-8-14-37(34)41/h7-10,13-14,16-21,27-28,30-31,38-39,42-44,53-54H,11-12,15,22-26,29,51-52H2,1-6H3,(H,55,61)(H,56,63)(H,57,62)/t38?,39-,42+,43+,44-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 82n/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human GHS-R1a expressed in HEK293T cells after 45 mins by HTRF-based IP3 turnover assay


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair