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BDBM50121927 CHEMBL437713::Glu-Ser-OctSer-phe-Leu-Ser-Pro-Glu-Arg-Val_Gln-Gln-Arg-Lys-Glu Ser-Lys-Lys-Pro-Pro-Pro-Ala-Lya-Leu-Gln-Pro-Arg

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(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=FKZFOVJQJIMDRL-FHUIQSEDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121927   
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))
BDBM50121927
PNG
(CHEMBL437713 | Glu-Ser-OctSer-phe-Leu-Ser-Pro-Glu-...)
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(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C154H256N48O43/c1-9-10-11-12-16-47-122(215)245-81-109(196-139(231)106(78-203)176-119(210)76-159)141(233)192-104(74-87-33-14-13-15-34-87)137(229)191-103(73-84(4)5)136(228)195-108(80-205)148(240)199-68-29-43-111(199)143(235)185-98(53-59-121(213)214)132(224)193-105(75-88-77-170-82-174-88)138(230)184-95(49-55-116(161)207)130(222)180-93(40-26-65-172-153(166)167)134(226)197-123(85(6)7)145(237)186-96(50-56-117(162)208)131(223)182-94(48-54-115(160)206)129(221)179-92(39-25-64-171-152(164)165)126(218)178-90(36-18-22-61-156)125(217)183-97(52-58-120(211)212)133(225)194-107(79-204)140(232)181-91(37-19-23-62-157)127(219)187-99(38-20-24-63-158)146(238)201-70-31-45-113(201)150(242)202-71-32-46-114(202)149(241)200-69-30-42-110(200)142(234)175-86(8)124(216)177-89(35-17-21-60-155)128(220)190-102(72-83(2)3)135(227)188-100(51-57-118(163)209)147(239)198-67-28-44-112(198)144(236)189-101(151(243)244)41-27-66-173-154(168)169/h13-15,33-34,77,82-86,89-114,123,203-205H,9-12,16-32,35-76,78-81,155-159H2,1-8H3,(H2,160,206)(H2,161,207)(H2,162,208)(H2,163,209)(H,170,174)(H,175,234)(H,176,210)(H,177,216)(H,178,218)(H,179,221)(H,180,222)(H,181,232)(H,182,223)(H,183,217)(H,184,230)(H,185,235)(H,186,237)(H,187,219)(H,188,227)(H,189,236)(H,190,220)(H,191,229)(H,192,233)(H,193,224)(H,194,225)(H,195,228)(H,196,231)(H,197,226)(H,211,212)(H,213,214)(H,243,244)(H4,164,165,171)(H4,166,167,172)(H4,168,169,173)/t86-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.710n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]ghrelin from cloned human Growth hormone secretagogue receptor type I (GSH1a) expressed in COS-7 cells


J Med Chem 45: 5609-16 (2002)


Article DOI: 10.1021/jm020424z
BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair