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3 similar compounds to monomer 50290184

Compile data set for download or QSAR
Wt: 361.4
BDBM50290178
Wt: 305.3
BDBM50290180
Wt: 347.4
BDBM50290185
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50290178,50290180,50290185   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50290180
PNG
(4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...)
Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)
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n/an/an/a 211n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50290185
PNG
(4-(1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC(C)N1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)
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Article
n/an/an/a 60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50290185
PNG
(4-(1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC(C)N1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)
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Article
n/an/an/a 72n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50290180
PNG
(4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...)
Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)
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n/an/an/a 233n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50290178
PNG
(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-13-17(9-12-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
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Article
n/an/an/a 23n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50290178
PNG
(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-13-17(9-12-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
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Article
n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290185
PNG
(4-(1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC(C)N1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)
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Article
n/an/an/an/a 10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290178
PNG
(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-13-17(9-12-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
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Article
n/an/an/an/a 20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290180
PNG
(4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...)
Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)
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Article
n/an/an/an/a 36n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290185
PNG
(4-(1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC(C)N1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)
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Article
n/an/an/an/a 6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290180
PNG
(4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...)
Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)
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n/an/an/an/a 54n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transactivation potency of the compound was determined for Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50290178
PNG
(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-13-17(9-12-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
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Article
n/an/an/a 58n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Retinoic acid receptor alpha


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50290185
PNG
(4-(1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC(C)N1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)
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Article
n/an/an/a 627n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Retinoic acid receptor alpha


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290178
PNG
(4-(1-Isopropyl-4,4-dimethyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES CC(C)N1C(=O)CC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3/c1-15(2)24-20-13-17(9-12-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)
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n/an/an/a 18n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2373-2378 (1997)


Article DOI: 10.1016/S0960-894X(97)00435-6
BindingDB Entry DOI: 10.7270/Q2K35TN8
More data for this
Ligand-Target Pair