Compile Data Set for Download or QSAR
Found 18 Enz. Inhib. hit(s) with all data for entry = 50006894
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

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:  20nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055114(4-(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphth...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20O2S/c1-25(2)14-13-20(23-4-3-15-28-23)21-16-18(9-12-22(21)25)6-5-17-7-10-19(11-8-17)24(26)27/h3-4,7-13,15-16H,14H2,1-2H3,(H,26,27)
Affinity DataEC50:  25nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

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 DataKd:  15nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055112(4-[(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-napht...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21NO3S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)22(26)25-17-8-5-15(6-9-17)23(27)28/h3-11,13-14H,12H2,1-2H3,(H,25,26)(H,27,28)
Affinity DataKd:  996nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055113(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphthale...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Oc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20O4S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)23(27)28-17-8-5-15(6-9-17)22(25)26/h3-11,13-14H,12H2,1-2H3,(H,25,26)
Affinity DataKd:  189nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055114(4-(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphth...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20O2S/c1-25(2)14-13-20(23-4-3-15-28-23)21-16-18(9-12-22(21)25)6-5-17-7-10-19(11-8-17)24(26)27/h3-4,7-13,15-16H,14H2,1-2H3,(H,26,27)
Affinity DataKd:  20nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

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:  459nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055113(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphthale...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Oc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20O4S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)23(27)28-17-8-5-15(6-9-17)22(25)26/h3-11,13-14H,12H2,1-2H3,(H,25,26)
Affinity DataKd:  303nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055113(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphthale...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Oc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20O4S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)23(27)28-17-8-5-15(6-9-17)22(25)26/h3-11,13-14H,12H2,1-2H3,(H,25,26)
Affinity DataEC50:  26nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

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 DataKd:  13nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055112(4-[(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-napht...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21NO3S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)22(26)25-17-8-5-15(6-9-17)23(27)28/h3-11,13-14H,12H2,1-2H3,(H,25,26)(H,27,28)
Affinity DataKd:  94nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055114(4-(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphth...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20O2S/c1-25(2)14-13-20(23-4-3-15-28-23)21-16-18(9-12-22(21)25)6-5-17-7-10-19(11-8-17)24(26)27/h3-4,7-13,15-16H,14H2,1-2H3,(H,26,27)
Affinity DataKd:  104nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055113(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphthale...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Oc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H20O4S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)23(27)28-17-8-5-15(6-9-17)22(25)26/h3-11,13-14H,12H2,1-2H3,(H,25,26)
Affinity DataKd:  1.49E+3nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055112(4-[(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-napht...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21NO3S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)22(26)25-17-8-5-15(6-9-17)23(27)28/h3-11,13-14H,12H2,1-2H3,(H,25,26)(H,27,28)
Affinity DataKd: >10nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055114(4-(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphth...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20O2S/c1-25(2)14-13-20(23-4-3-15-28-23)21-16-18(9-12-22(21)25)6-5-17-7-10-19(11-8-17)24(26)27/h3-4,7-13,15-16H,14H2,1-2H3,(H,26,27)
Affinity DataKd:  129nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR alphaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Allergan Inc

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 DataKd:  18nMAssay Description:Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR gammaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50055112(4-[(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-napht...)
Show SMILES CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21NO3S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)22(26)25-17-8-5-15(6-9-17)23(27)28/h3-11,13-14H,12H2,1-2H3,(H,25,26)(H,27,28)
Affinity DataEC50:  115nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Allergan Inc

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:  87nMAssay Description:Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR betaMore data for this Ligand-Target Pair