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BDBM50094064 CHEMBL335799::GSS(heptyl carbonyl)F-NH2

SMILES: CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=RVTGSJHDHAUAAQ-UFYCRDLUSA-N

Data: 1 IC50  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50094064   
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))
BDBM50094064
PNG
(CHEMBL335799 | GSS(heptyl carbonyl)F-NH2)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N5O7/c1-2-3-4-5-9-12-22(33)37-16-20(30-24(35)19(15-31)28-21(32)14-26)25(36)29-18(23(27)34)13-17-10-7-6-8-11-17/h6-8,10-11,18-20,31H,2-5,9,12-16,26H2,1H3,(H2,27,34)(H,28,32)(H,29,36)(H,30,35)/t18-,19-,20-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 889n/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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50094064
PNG
(CHEMBL335799 | GSS(heptyl carbonyl)F-NH2)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N5O7/c1-2-3-4-5-9-12-22(33)37-16-20(30-24(35)19(15-31)28-21(32)14-26)25(36)29-18(23(27)34)13-17-10-7-6-8-11-17/h6-8,10-11,18-20,31H,2-5,9,12-16,26H2,1H3,(H2,27,34)(H,28,32)(H,29,36)(H,30,35)/t18-,19-,20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 72n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at GHS-R1a (unknown origin)


Bioorg Med Chem 21: 5470-9 (2013)


Article DOI: 10.1016/j.bmc.2013.06.006
BindingDB Entry DOI: 10.7270/Q2VQ3446
More data for this
Ligand-Target Pair