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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'onem' and Initial = 'h'   
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
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(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 |c:4|
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+
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0.0400n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252993
PNG
(CHEMBL4073678)
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0.120n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252992
PNG
(CHEMBL4100496)
PDB
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0.120n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252992
PNG
(CHEMBL4100496)
PDB
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0.270n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252996
PNG
(CHEMBL4097972)
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0.370n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252991
PNG
(CHEMBL4064130)
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0.610n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252994
PNG
(CHEMBL4082551)
PDB
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0.630n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252998
PNG
(CHEMBL4105008)
PDB
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0.640n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50253004
PNG
(CHEMBL4072122)
PDB
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0.660n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252996
PNG
(CHEMBL4097972)
PDB
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0.660n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50253005
PNG
(CHEMBL4076887)
PDB
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0.690n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252991
PNG
(CHEMBL4064130)
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0.770n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252993
PNG
(CHEMBL4073678)
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0.880n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252997
PNG
(CHEMBL4098116)
PDB
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0.900n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50253004
PNG
(CHEMBL4072122)
PDB
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0.900n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
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+
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1n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic Acid Receptors Gamma / Alpha


(Homo sapiens (Human))
BDBM36811
PNG
(BMS614)
Show SMILES CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C29H24N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-13,15-17H,14H2,1-2H3,(H,31,32)(H,33,34)
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1 -47.8n/an/an/an/an/a8.04



Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC)



Assay Description
Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...


Chem Biol 6: 519-29 (1999)


Article DOI: 10.1016/S1074-5521(99)80084-2
BindingDB Entry DOI: 10.7270/Q2CV4G39
More data for this
Ligand-Target Pair
Retinoic Acid Receptors Gamma / Alpha


(Homo sapiens (Human))
BDBM36810
PNG
(BMS753)
Show SMILES CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
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1 -47.8n/an/an/an/an/a8.04



Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC)



Assay Description
Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...


Chem Biol 6: 519-29 (1999)


Article DOI: 10.1016/S1074-5521(99)80084-2
BindingDB Entry DOI: 10.7270/Q2CV4G39
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252998
PNG
(CHEMBL4105008)
PDB
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1.10n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Retinoic Acid Receptor, gamma


(Homo sapiens (Human))
BDBM31889
PNG
(BMS 961 | BMS270394 | BMS961)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1
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1.5 -46.8n/an/an/an/an/a8.04



Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC)



Assay Description
Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...


Chem Biol 6: 519-29 (1999)


Article DOI: 10.1016/S1074-5521(99)80084-2
BindingDB Entry DOI: 10.7270/Q2CV4G39
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic Acid Receptor, alpha


(Homo sapiens (Human))
BDBM36810
PNG
(BMS753)
Show SMILES CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
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2 -46.2n/an/an/an/an/a8.04



Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC)



Assay Description
Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...


Chem Biol 6: 519-29 (1999)


Article DOI: 10.1016/S1074-5521(99)80084-2
BindingDB Entry DOI: 10.7270/Q2CV4G39
More data for this
Ligand-Target Pair
Retinoic Acid Receptor, alpha


(Homo sapiens (Human))
BDBM36811
PNG
(BMS614)
Show SMILES CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O |t:4|
Show InChI InChI=1S/C29H24N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-13,15-17H,14H2,1-2H3,(H,31,32)(H,33,34)
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2.5 -45.6n/an/an/an/an/a8.04



Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC)



Assay Description
Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...


Chem Biol 6: 519-29 (1999)


Article DOI: 10.1016/S1074-5521(99)80084-2
BindingDB Entry DOI: 10.7270/Q2CV4G39
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31883
PNG
(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 |c:4|
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+
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3.30n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
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+
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3.80n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(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 |c:4|
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+
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4.10n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252995
PNG
(CHEMBL4075535)
PDB
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5.10n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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5.90n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50252995
PNG
(CHEMBL4075535)
PDB
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6.20n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061625
PNG
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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6.5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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8.30n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoid X receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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8.90n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
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+
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11n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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11n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
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+
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12n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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16n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoid X receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50061625
PNG
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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30n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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50n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(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 |c:4|
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+
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54n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31883
PNG
(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 |c:4|
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+
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120n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonistic activity of the compound towards retinoid X receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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130n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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180n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Selective activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061616
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C |t:9|
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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220n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061617
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-oxa...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Oc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
Show InChI InChI=1S/C28H27NO3/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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320n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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320n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM31883
PNG
(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 |c:4|
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+
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330n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonisticactivity of the compound towards retinoid X receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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400n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C |t:9|
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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490n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C |t:9|
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061618
PNG
(4-(7,7,10,10-Tetramethyl-7,8,9,10-tetrahydro-5-thi...)
Show SMILES CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
Show InChI InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)
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620n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoid X receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061624
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:9|
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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640n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
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