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Compile Data Set for Download or QSAR

Found 6 hits of ki for drug = Adapalene And Benzoyl Peroxide   
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
Retinoid receptor


(Homo sapiens)
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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Article
34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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PubMed
34n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


Article DOI: 10.1021/jm00026a006
BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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Article
130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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130n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


Article DOI: 10.1021/jm00026a006
BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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Article
1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor alpha


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


Article DOI: 10.1021/jm00026a006
BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair