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Compile Data Set for Download or QSAR

Found 9 hits of kd for monomerid = 50029774   
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 beta


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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PubMed
n/an/an/a 2n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding constant for baculovirus-expressed Retinoic acid receptor RAR beta


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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PubMed
n/an/an/a 2n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding constant for baculovirus-expressed Retinoic acid receptor RAR alpha


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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PubMed
n/an/an/a 3n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding constant for baculovirus-expressed Retinoic acid receptor RAR gamma


J Med Chem 38: 4764-7 (1996)


BindingDB Entry DOI: 10.7270/Q22N5194
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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n/an/an/a 6n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand


Bioorg Med Chem Lett 11: 765-8 (2001)


BindingDB Entry DOI: 10.7270/Q2348JN3
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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n/an/an/a 7n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor gamma


Bioorg Med Chem Lett 11: 765-8 (2001)


BindingDB Entry DOI: 10.7270/Q2348JN3
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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n/an/an/a 7n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from beta retinoic acid receptor (beta RAR) using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
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PubMed
n/an/an/a 7n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
PDB
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PubMed
n/an/an/a 16n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from alpha retinoic acid receptor (alpha RAR) using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50029774
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)
PDB
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PubMed
n/an/an/a 17n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand


Bioorg Med Chem Lett 11: 765-8 (2001)


BindingDB Entry DOI: 10.7270/Q2348JN3
More data for this
Ligand-Target Pair