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BDBM50061720 CHEMBL3394199

SMILES: COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C#N

InChI Key: InChIKey=JXAXVSBRIIGYBW-GDLZYMKVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061720   
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))
BDBM50061720
PNG
(CHEMBL3394199)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C#N
Show InChI InChI=1S/C31H33N5O2/c1-21-13-28(34-20-33-21)24-4-7-27-23(14-24)5-8-29(27)36-18-31(19-36)9-11-35(12-10-31)30(37)16-22-3-6-26(38-2)15-25(22)17-32/h3-4,6-7,13-15,20,29H,5,8-12,16,18-19H2,1-2H3/t29-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair