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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for UniProtKB: P19793   
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
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human VDR/RXRalpha expressed in HEK293 cells after 24 hrs by Dual-luciferase reporter gene assay


Eur J Med Chem 157: 1174-1191 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.085
BindingDB Entry DOI: 10.7270/Q2WH2SQJ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50469127
PNG
(CHEMBL4288947)
Show SMILES CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCSC)c(C)c1
Show InChI InChI=1S/C27H43N3O2S/c1-8-27(9-2,22-13-15-24(21(6)19-22)32-20-33-7)25-16-14-23(30(25)12-5)26(31)28-17-18-29(10-3)11-4/h13-16,19H,8-12,17-18,20H2,1-7H3,(H,28,31)
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n/an/an/an/a 6.40n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human VDR/RXRalpha expressed in HEK293 cells after 24 hrs by Dual-luciferase reporter gene assay


Eur J Med Chem 157: 1174-1191 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.085
BindingDB Entry DOI: 10.7270/Q2WH2SQJ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50441900
PNG
(CHEMBL2434990)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N[C@@H](C)CO |r|
Show InChI InChI=1S/C28H44N2O4/c1-9-28(10-2,24-15-13-22(30(24)11-3)26(33)29-20(5)17-31)21-12-14-23(19(4)16-21)34-18-25(32)27(6,7)8/h12-16,20,25,31-32H,9-11,17-18H2,1-8H3,(H,29,33)/t20-,25?/m0/s1
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Article
PubMed
n/an/an/an/a 6.80n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human VDR/RXRalpha expressed in HEK293 cells after 24 hrs by Dual-luciferase reporter gene assay


Eur J Med Chem 157: 1174-1191 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.085
BindingDB Entry DOI: 10.7270/Q2WH2SQJ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50469128
PNG
(CHEMBL4290851)
Show SMILES CCN(CC)CCNC(=O)c1cc(cn1CC)C(CC)(CC)c1ccc(OCS(=O)(=O)c2ccccc2)c(C)c1
Show InChI InChI=1S/C32H45N3O4S/c1-7-32(8-2,27-22-29(35(11-5)23-27)31(36)33-19-20-34(9-3)10-4)26-17-18-30(25(6)21-26)39-24-40(37,38)28-15-13-12-14-16-28/h12-18,21-23H,7-11,19-20,24H2,1-6H3,(H,33,36)
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PC cid
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Article
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n/an/an/an/a 38n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human VDR/RXRalpha expressed in HEK293 cells after 24 hrs by Dual-luciferase reporter gene assay


Eur J Med Chem 157: 1174-1191 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.085
BindingDB Entry DOI: 10.7270/Q2WH2SQJ
More data for this
Ligand-Target Pair