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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor gamma' AND taxid = 10090   
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
Retinoic acid receptor gamma


(Mus musculus)
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
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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PubMed
n/an/a 4n/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)

More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
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
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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n/an/a 4n/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


Citation and Details
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
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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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


Citation and Details
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
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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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)

More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064250
PNG
((2E,4E,6E)-8-[3,4-Dihydro-2H-naphthalen-(1E)-ylide...)
Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCc2ccccc12)=C/C(O)=O
Show InChI InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7+,16-14+,18-13+
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n/an/a 55n/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


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50031458
PNG
((2Z,5E)-7-Methyl-3-[(E)-2-(2,6,6-trimethyl-cyclohe...)
Show SMILES CCC(C)\C=C\C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C(O)=O
Show InChI InChI=1S/C21H32O2/c1-6-16(2)9-7-11-18(15-20(22)23)12-13-19-17(3)10-8-14-21(19,4)5/h7,9,12-13,15-16H,6,8,10-11,14H2,1-5H3,(H,22,23)/b9-7+,13-12+,18-15-
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n/an/a 60n/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)

More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064254
PNG
((2E,4E,6E,8Z)-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)=O
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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n/an/a 60n/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


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064252
PNG
((2Z,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
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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n/an/a 708n/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


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50407395
PNG
(CHEMBL2111557)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C/C=C/C=C/C(=C/C)/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-6-19-14-11-15-21(22(19)17(3)4)16-18(5)12-9-8-10-13-20(7-2)23(24)25/h7-10,12-13,16-17H,6,11,14-15H2,1-5H3,(H,24,25)/b9-8+,13-10+,18-12-,20-7-,21-16+
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n/an/a 708n/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)

More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064255
PNG
((2E,4Z,6Z)-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
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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n/an/a>1.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064251
PNG
((2Z,4E,6E)-8-[3,4-Dihydro-2H-naphthalen-(1E)-ylide...)
Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCc2ccccc12)=C\C(O)=O
Show InChI InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7+,16-14-,18-13+
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n/an/a>1.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50031459
PNG
((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O
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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n/an/a>1.00E+3n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma


(Mus musculus)
BDBM50031457
PNG
((2Z,5E)-3-{(E)-3-[3-Ethyl-2-isopropyl-cyclohex-2-e...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C(\C\C(C)=C\C)=C/C(O)=O
Show InChI InChI=1S/C23H34O2/c1-7-17(5)12-19(15-22(24)25)13-18(6)14-21-11-9-10-20(8-2)23(21)16(3)4/h7,13-16H,8-12H2,1-6H3,(H,24,25)/b17-7+,18-13+,19-15-,21-14+
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n/an/a 1.59E+3n/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)

More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064253
PNG
((2E,4Z,6Z)-8-[3,4-Dihydro-2H-naphthalen-(1E)-ylide...)
Show SMILES C\C(\C=C/C=C(/C)\C=C1/CCCc2ccccc12)=C/C(O)=O
Show InChI InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5-,15-7-,16-14+,18-13+
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n/an/a>2.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50346146
PNG
(CHEMBL1783651 | rac-4-[3-(8,8-Dimethyl-5-(phenylet...)
Show SMILES CC1(C)CC=C(C#Cc2ccccc2)c2ccc(cc12)C1=NOC(C1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H25NO3/c1-30(2)17-16-21(9-8-20-6-4-3-5-7-20)25-15-14-24(18-26(25)30)27-19-28(34-31-27)22-10-12-23(13-11-22)29(32)33/h3-7,10-16,18,28H,17,19H2,1-2H3,(H,32,33)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Antagonist activity at yeast GAL4 fused mouse RARgamma ligand binding domain expressed in HeLa cells assessed as inhibition of TTNPB-induced receptor...


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50346145
PNG
(CHEMBL1783649 | rac-4-[(3-(8,8-Dimethyl-5-phenyl-7...)
Show SMILES CC1(C)CC=C(c2ccccc2)c2ccc(cc12)C1=NOC(C1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H25NO3/c1-28(2)15-14-22(18-6-4-3-5-7-18)23-13-12-21(16-24(23)28)25-17-26(32-29-25)19-8-10-20(11-9-19)27(30)31/h3-14,16,26H,15,17H2,1-2H3,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Antagonist activity at yeast GAL4 fused mouse RARgamma ligand binding domain expressed in HeLa cells assessed as inhibition of TTNPB-induced receptor...


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052961
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064254
PNG
((2E,4E,6E,8Z)-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)=O
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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n/an/an/an/a 10n/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


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064250
PNG
((2E,4E,6E)-8-[3,4-Dihydro-2H-naphthalen-(1E)-ylide...)
Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCc2ccccc12)=C/C(O)=O
Show InChI InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7+,16-14+,18-13+
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n/an/an/an/a 370n/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


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50064255
PNG
((2E,4Z,6Z)-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
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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n/an/an/an/a 190n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


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


Citation and Details
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
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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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


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052960
PNG
(2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C19H23NO2S2/c1-11-8-12-13(19(4,5)7-6-18(12,2)3)9-14(11)23-17-20-10-15(24-17)16(21)22/h8-10H,6-7H2,1-5H3,(H,21,22)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O
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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n/an/an/a 17n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052958
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052959
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O3S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)26(25)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
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
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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n/an/an/a 18n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Mus musculus)
BDBM50052957
PNG
(4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...)
Show SMILES Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H26O4S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)27(25,26)16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Allergan, Inc

Curated by ChEMBL


Assay Description
Dissociation constant for binding to Retinoic acid receptor gamma


Citation and Details
More data for this
Ligand-Target Pair