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PubMed code 26135471

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM50095837
PNG
(CHEMBL3590573)
Show SMILES CN1CCC(Cc2cccc(CNC3(CCCC3)c3ccc(F)cc3)c2)CC1
Show InChI InChI=1S/C18H29N7O4/c19-7-5-3-1-2-4-6-8-21-17(28)14-12(26)13(27)18(29-14)25-10-24-11-15(20)22-9-23-16(11)25/h9-10,12-14,18,26-27H,1-8,19H2,(H,21,28)(H2,20,22,23)/t12?,13?,14-,18+/m0/s1
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PC sid
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Article
PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of REV-ERBbeta (unknown origin) expressed in HEK293 cells incubated for 24 hrs assessed as inhibition of receptor-mediated transcriptional...


J Med Chem 58: 5900-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00511
BindingDB Entry DOI: 10.7270/Q26H4K40
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens (Human))
BDBM50095836
PNG
(CHEMBL3590544)
Show SMILES CN1CCN(Cc2cc(CNC3(CCCC3)c3ccccc3F)ccc2O)CC1
Show InChI InChI=1S/C14H20N6O4/c1-3-6(2)19-13(23)10-8(21)9(22)14(24-10)20-5-18-7-11(15)16-4-17-12(7)20/h4-6,8-10,14,21-22H,3H2,1-2H3,(H,19,23)(H2,15,16,17)/t6?,8?,9?,10-,14+/m0/s1
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of REV-ERBbeta (unknown origin) expressed in HEK293 cells incubated for 24 hrs assessed as inhibition of receptor-mediated transcriptional...


J Med Chem 58: 5900-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00511
BindingDB Entry DOI: 10.7270/Q26H4K40
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%