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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group D member 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50366239
PNG
(CHEMBL1961797)
Show SMILES CCCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)
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n/an/a 560n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Increased REV-ERB-beta LBD dependent repressor activity in HEK293 cell reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens)
BDBM50366238
PNG
(CHEMBL1961796)
Show SMILES CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3
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n/an/a 800n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Increased REV-ERB-beta LBD dependent repressor activity in HEK293 cell reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens)
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(Homo sapiens)
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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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...


Citation and Details
More data for this
Ligand-Target Pair