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BDBM50094051 CHEMBL412565::GSS(heptyl carboxamide)FLSPEHQRVQQRKESKKPPAKLQPR

SMILES: CCCCCCCC(=O)NC[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)=O

InChI Key: InChIKey=IYQJDEVNAVCATM-XQUCVJDWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50094051   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094051
PNG
(CHEMBL412565 | GSS(heptyl carboxamide)FLSPEHQRVQQR...)
Show SMILES CCCCCCCC(=O)NC[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)=O
Show InChI InChI=1S/C76H121N23O23/c1-6-7-8-9-13-20-59(105)85-36-52(96-71(117)53(37-100)87-60(106)34-77)70(116)94-50(32-42-16-11-10-12-17-42)68(114)93-49(31-40(2)3)67(113)97-54(38-101)74(120)99-30-15-19-55(99)72(118)90-47(24-28-61(107)108)65(111)95-51(33-43-35-83-39-86-43)69(115)89-45(21-25-56(78)102)63(109)88-44(18-14-29-84-76(81)82)66(112)98-62(41(4)5)73(119)91-46(22-26-57(79)103)64(110)92-48(75(121)122)23-27-58(80)104/h10-12,16-17,35,39-41,44-55,62,100-101H,6-9,13-15,18-34,36-38,77H2,1-5H3,(H2,78,102)(H2,79,103)(H2,80,104)(H,83,86)(H,85,105)(H,87,106)(H,88,109)(H,89,115)(H,90,118)(H,91,119)(H,92,110)(H,93,114)(H,94,116)(H,95,111)(H,96,117)(H,97,113)(H,98,112)(H,107,108)(H,121,122)(H4,81,82,84)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,62-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/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)


Article DOI: 10.1021/jm0001727
BindingDB Entry DOI: 10.7270/Q2T72GP0
More data for this
Ligand-Target Pair