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Articleid 50029296

Compile data set for download or QSAR
Found 3 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
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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Article
0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-RA to binding Retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 4: 2117-2122 (1994)


Article DOI: 10.1016/S0960-894X(01)80113-X
BindingDB Entry DOI: 10.7270/Q2V40V4W
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50283073
PNG
(6-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)NC1OC(C(O)C(O)C1O)C(O)=O |c:4|
Show InChI InChI=1S/C26H37NO7/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(28)27-24-22(31)20(29)21(30)23(34-24)25(32)33/h6,8-9,11-12,14,20-24,29-31H,7,10,13H2,1-5H3,(H,27,28)(H,32,33)/b9-6+,12-11+,15-8+,16-14+
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Article
280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-RA binding to Retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 4: 2117-2122 (1994)


Article DOI: 10.1016/S0960-894X(01)80113-X
BindingDB Entry DOI: 10.7270/Q2V40V4W
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50283072
PNG
((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)NC1OC(CO)C(O)C(O)C1O |c:4|
Show InChI InChI=1S/C26H39NO6/c1-16(11-12-19-18(3)10-7-13-26(19,4)5)8-6-9-17(2)14-21(29)27-25-24(32)23(31)22(30)20(15-28)33-25/h6,8-9,11-12,14,20,22-25,28,30-32H,7,10,13,15H2,1-5H3,(H,27,29)/b9-6+,12-11+,16-8+,17-14+
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Article
710n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-RA to binding Retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 4: 2117-2122 (1994)


Article DOI: 10.1016/S0960-894X(01)80113-X
BindingDB Entry DOI: 10.7270/Q2V40V4W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%