Compile Data Set for Download or QSAR

PubMed code 16302793

Found 17 hits of Enzyme Inhibition Constant Data   

TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50475526(CHEMBL198467)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H22O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21/h7-14H,2-6H2,1H3,(H,20,21)
Affinity DataEC50:  50nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50475527(CHEMBL197292)
Show SMILES CCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H20O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H,19,20)
Affinity DataEC50: >1.00E+4nMAssay Description:Transcriptional activity against RARbeta1More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM31883(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+
Affinity DataEC50:  25nMAssay Description:Transcriptional activity against RARbeta1More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
Affinity DataEC50:  50nMAssay Description:Transcriptional activity against RARbeta1More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50475527(CHEMBL197292)
Show SMILES CCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H20O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H,19,20)
Affinity DataEC50:  16nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50413261(AC-55649 | CHEMBL425027)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
Affinity DataEC50: >1.00E+4nMAssay Description:Transcriptional activity against RARbeta1More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50475528(CHEMBL365798)
Show SMILES CCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)
Affinity DataEC50:  63nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50413260(CHEMBL198794)
Show SMILES CCCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22(23)24/h10-17H,2-9H2,1H3,(H,23,24)
Affinity DataEC50:  16nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50413267(CHEMBL371684)
Show SMILES CCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
Affinity DataEC50:  25nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM31883(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+
Affinity DataEC50:  6.30nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
Affinity DataEC50:  20nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50413272(AC-261066 | CHEMBL198997)
Show SMILES CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1
Show InChI InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)
Affinity DataEC50:  10nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50475528(CHEMBL365798)
Show SMILES CCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)
Affinity DataEC50: >1.00E+4nMAssay Description:Transcriptional activity against RARbeta1More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50413267(CHEMBL371684)
Show SMILES CCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
Affinity DataEC50: >1.00E+4nMAssay Description:Transcriptional activity against RARbeta1More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50413261(AC-55649 | CHEMBL425027)
Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
Affinity DataEC50:  126nMAssay Description:Transcriptional activity against RARbeta2More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50475526(CHEMBL198467)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H22O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21/h7-14H,2-6H2,1H3,(H,20,21)
Affinity DataEC50: >1.00E+4nMAssay Description:Transcriptional activity against RARbeta1More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
ACADIA Pharmaceuticals AB

Curated by ChEMBL
LigandPNGBDBM50413260(CHEMBL198794)
Show SMILES CCCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22(23)24/h10-17H,2-9H2,1H3,(H,23,24)
Affinity DataEC50:  316nMAssay Description:Transcriptional activity against RARbeta1More data for this Ligand-Target Pair
* indicates data uncertainty>20%