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BDBM123496 US8748435, 21

SMILES: CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCNCC2)cc1

InChI Key: InChIKey=GUAFIVUOZNYXFL-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 123496   
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
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123496
PNG
(US8748435, 21)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCNCC2)cc1
Show InChI InChI=1S/C23H30N4O/c1-4-22-21(23-25-16(2)13-17(3)27(23)26-22)14-18-5-7-20(8-6-18)28-15-19-9-11-24-12-10-19/h5-8,13,19,24H,4,9-12,14-15H2,1-3H3
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 22n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)


BindingDB Entry DOI: 10.7270/Q2F18XDK
More data for this
Ligand-Target Pair