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3 similar compounds to monomer 50048281

Compile data set for download or QSAR
Wt: 384.5
BDBM50045275
Wt: 440.5
BDBM50048284
Wt: 358.4
BDBM50048296

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50045275,50048284,50048296   
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
Retinoid receptor


(Homo sapiens (Human))
BDBM50048296
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthrace...)
Show SMILES CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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2n/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 receptor


(Homo sapiens (Human))
BDBM50048296
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthrace...)
Show SMILES CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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3n/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 X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50048296
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-anthrace...)
Show SMILES CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-20-13-18(9-10-19(20)14-21(22)24)16-5-7-17(8-6-16)23(26)27/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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5.30n/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50048284
PNG
(6-[3-Adamantan-1-yl-4-(3-hydroxy-propyl)-phenyl]-n...)
Show SMILES OCCCc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C30H32O3/c31-9-1-2-22-3-4-26(24-5-6-25-14-27(29(32)33)8-7-23(25)13-24)15-28(22)30-16-19-10-20(17-30)12-21(11-19)18-30/h3-8,13-15,19-21,31H,1-2,9-12,16-18H2,(H,32,33)
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21n/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 (Human))
BDBM50048284
PNG
(6-[3-Adamantan-1-yl-4-(3-hydroxy-propyl)-phenyl]-n...)
Show SMILES OCCCc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C30H32O3/c31-9-1-2-22-3-4-26(24-5-6-25-14-27(29(32)33)8-7-23(25)13-24)15-28(22)30-16-19-10-20(17-30)12-21(11-19)18-30/h3-8,13-15,19-21,31H,1-2,9-12,16-18H2,(H,32,33)
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72n/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 (Human))
BDBM50048284
PNG
(6-[3-Adamantan-1-yl-4-(3-hydroxy-propyl)-phenyl]-n...)
Show SMILES OCCCc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C30H32O3/c31-9-1-2-22-3-4-26(24-5-6-25-14-27(29(32)33)8-7-23(25)13-24)15-28(22)30-16-19-10-20(17-30)12-21(11-19)18-30/h3-8,13-15,19-21,31H,1-2,9-12,16-18H2,(H,32,33)
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695n/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50045275
PNG
(2'-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccccc1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H28O2/c1-26(2)15-16-27(3,4)24-17-20(13-14-23(24)26)22-8-6-5-7-21(22)18-9-11-19(12-10-18)25(28)29/h5-14,17H,15-16H2,1-4H3,(H,28,29)
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n/an/an/an/a 100n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against RAR-gamma receptor


J Med Chem 36: 2605-13 (1993)


Article DOI: 10.1021/jm00070a003
BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50045275
PNG
(2'-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccccc1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H28O2/c1-26(2)15-16-27(3,4)24-17-20(13-14-23(24)26)22-8-6-5-7-21(22)18-9-11-19(12-10-18)25(28)29/h5-14,17H,15-16H2,1-4H3,(H,28,29)
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n/an/an/an/a 2.80E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against RXR-alpha receptor


J Med Chem 36: 2605-13 (1993)


Article DOI: 10.1021/jm00070a003
BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50045275
PNG
(2'-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccccc1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H28O2/c1-26(2)15-16-27(3,4)24-17-20(13-14-23(24)26)22-8-6-5-7-21(22)18-9-11-19(12-10-18)25(28)29/h5-14,17H,15-16H2,1-4H3,(H,28,29)
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n/an/an/an/a 3.20E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against Retinoic acid receptor beta


J Med Chem 36: 2605-13 (1993)


Article DOI: 10.1021/jm00070a003
BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair