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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor gamma' and Ligand = 'BDBM50031460'   
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


(Mus musculus)
BDBM50031460
PNG
((2E,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14+,19-13+
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to retinoid A receptor RAR gamma


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50031460
PNG
((2E,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14+,19-13+
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PubMed
n/an/a 10n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to murine Retinoic acid receptor RAR gamma


J Med Chem 38: 2302-10 (1995)


BindingDB Entry DOI: 10.7270/Q2S181H8
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50031460
PNG
((2E,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O |c:2|
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14+,19-13+
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR gamma


J Med Chem 41: 1679-87 (1998)


Article DOI: 10.1021/jm970635h
BindingDB Entry DOI: 10.7270/Q20864F4
More data for this
Ligand-Target Pair