Found 700 hits with Last Name = 'meyer' and Initial = 'h' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM31883
(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+ | PDB
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| MMDB
Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50091096
(5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-...)Show InChI InChI=1S/C15H17ClN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3 | PDB
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| CHEMBL
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| PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre for Addiction and Mental Health
Curated by ChEMBL
| Assay Description
In vitro binding affinity on cloned Serotonin transporter |
J Med Chem 43: 3103-10 (2000)
BindingDB Entry DOI: 10.7270/Q2J67G4W |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50091098
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-trifluo...)Show InChI InChI=1S/C16H17F3N2S/c1-21(2)10-11-5-3-4-6-14(11)22-15-8-7-12(9-13(15)20)16(17,18)19/h3-9H,10,20H2,1-2H3 | PDB
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| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre for Addiction and Mental Health
Curated by ChEMBL
| Assay Description
In vitro binding affinity on cloned Serotonin transporter |
J Med Chem 43: 3103-10 (2000)
BindingDB Entry DOI: 10.7270/Q2J67G4W |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | UniProtKB/SwissProt
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(RAT) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | UniProtKB/SwissProt
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM31892
(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+ | PDB
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PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Retinoic acid receptor alpha [200-419]/gamma [183-417]
(Homo sapiens (Human)) | BDBM36810
(BMS753 | US9963439, 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) | PDB
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| 1 | -47.8 | n/a | n/a | n/a | n/a | n/a | 8.0 | 4 |
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 [200-419]/gamma [183-417]
(Homo sapiens (Human)) | BDBM36811
(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) | PDB
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| 1 | -47.8 | n/a | n/a | n/a | n/a | n/a | 8.0 | 4 |
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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50091097
(3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...)Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3 | PDB
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| CHEMBL
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre for Addiction and Mental Health
Curated by ChEMBL
| Assay Description
In vitro binding affinity on cloned Serotonin transporter |
J Med Chem 43: 3103-10 (2000)
BindingDB Entry DOI: 10.7270/Q2J67G4W |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma [183-417]
(Homo sapiens (Human)) | BDBM31889
(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 | PDB
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PubMed
| 1.5 | -46.8 | n/a | n/a | n/a | n/a | n/a | 8.0 | 4 |
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 Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190710
(8-[4-(phenylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O4S/c1-2-12-25-19(26)16-18(23-20(25)27)22-17(21-16)13-8-10-15(11-9-13)30(28,29)24-14-6-4-3-5-7-14/h3-11,24H,2,12H2,1H3,(H,21,22)(H,23,27) | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50091095
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy...)Show InChI InChI=1S/C16H20N2OS/c1-18(2)11-12-6-4-5-7-15(12)20-16-9-8-13(19-3)10-14(16)17/h4-10H,11,17H2,1-3H3 | PDB
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| 1.89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre for Addiction and Mental Health
Curated by ChEMBL
| Assay Description
In vitro binding affinity on cloned Serotonin transporter |
J Med Chem 43: 3103-10 (2000)
BindingDB Entry DOI: 10.7270/Q2J67G4W |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha [200-419]
(Homo sapiens (Human)) | BDBM36810
(BMS753 | US9963439, 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) | PDB
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| 2 | -46.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 4 |
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 [200-419]
(Homo sapiens (Human)) | BDBM36811
(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) | PDB
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| 2.5 | -45.6 | n/a | n/a | n/a | n/a | n/a | 8.0 | 4 |
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)) | BDBM31883
(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+ | PDB
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| Article
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190709
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33) | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190702
(8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxan...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29) | PDB
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| 3.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM31892
(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+ | PDB
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| DrugBank
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Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM31883
(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+ | PDB
MMDB
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| MMDB
Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190706
(8-[4-(benzylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28) | PDB
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PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190699
(8-[4-(phenylethylamidosulfonyl)phenyl]-1,3-dimethy...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-25-19-17(20(27)26(2)21(25)28)23-18(24-19)15-8-10-16(11-9-15)31(29,30)22-13-12-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3,(H,23,24) | PDB
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PubMed
| 4.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190706
(8-[4-(benzylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28) | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190703
(8-[4-(dipropylamidosulfonyl)phenyl]-1-propylxanthi...)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1 Show InChI InChI=1S/C20H27N5O4S/c1-4-11-24(12-5-2)30(28,29)15-9-7-14(8-10-15)17-21-16-18(22-17)23-20(27)25(13-6-3)19(16)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,22)(H,23,27) | PDB
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PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50032675
(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) | PDB
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Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50061625
(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) | PDB
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| DrugBank
Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Retinoic acid receptor RXR-gamma
(Homo sapiens (Human)) | BDBM50032675
(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) | PDB
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Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190702
(8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxan...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-gamma
(Homo sapiens (Human)) | BDBM31892
(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+ | PDB
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Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM31892
(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+ | PDB
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Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190699
(8-[4-(phenylethylamidosulfonyl)phenyl]-1,3-dimethy...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-25-19-17(20(27)26(2)21(25)28)23-18(24-19)15-8-10-16(11-9-15)31(29,30)22-13-12-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3,(H,23,24) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032675
(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) | PDB
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Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor at 5 uM |
Bioorg Med Chem Lett 21: 1871-5 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50190710
(8-[4-(phenylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O4S/c1-2-12-25-19(26)16-18(23-20(25)27)22-17(21-16)13-8-10-15(11-9-13)30(28,29)24-14-6-4-3-5-7-14/h3-11,24H,2,12H2,1H3,(H,21,22)(H,23,27) | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50190706
(8-[4-(benzylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28) | PDB
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| 26.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190707
(8-[4-(butylamidosulfonyl)phenyl]-1,3-dimethylxanth...)Show SMILES CCCCNS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H21N5O4S/c1-4-5-10-18-27(25,26)12-8-6-11(7-9-12)14-19-13-15(20-14)21(2)17(24)22(3)16(13)23/h6-9,18H,4-5,10H2,1-3H3,(H,19,20) | PDB
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UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190704
(8-[4-(2-Hydroxyethylamidosulfonyl)phenyl]-1-propyl...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H19N5O5S/c1-2-8-21-15(23)12-14(20-16(21)24)19-13(18-12)10-3-5-11(6-4-10)27(25,26)17-7-9-22/h3-6,17,22H,2,7-9H2,1H3,(H,18,19)(H,20,24) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 27.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50061625
(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) | PDB
MMDB
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190710
(8-[4-(phenylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O4S/c1-2-12-25-19(26)16-18(23-20(25)27)22-17(21-16)13-8-10-15(11-9-13)30(28,29)24-14-6-4-3-5-7-14/h3-11,24H,2,12H2,1H3,(H,21,22)(H,23,27) | PDB
NCI pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50190699
(8-[4-(phenylethylamidosulfonyl)phenyl]-1,3-dimethy...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-25-19-17(20(27)26(2)21(25)28)23-18(24-19)15-8-10-16(11-9-15)31(29,30)22-13-12-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3,(H,23,24) | PDB
MMDB
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PC sid
UniChem
Similars
| Article
PubMed
| 32.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50190703
(8-[4-(dipropylamidosulfonyl)phenyl]-1-propylxanthi...)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1 Show InChI InChI=1S/C20H27N5O4S/c1-4-11-24(12-5-2)30(28,29)15-9-7-14(8-10-15)17-21-16-18(22-17)23-20(27)25(13-6-3)19(16)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,22)(H,23,27) | PDB
MMDB
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PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190704
(8-[4-(2-Hydroxyethylamidosulfonyl)phenyl]-1-propyl...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H19N5O5S/c1-2-8-21-15(23)12-14(20-16(21)24)19-13(18-12)10-3-5-11(6-4-10)27(25,26)17-7-9-22/h3-6,17,22H,2,7-9H2,1H3,(H,18,19)(H,20,24) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50032675
(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) | PDB
MMDB
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UniChem
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Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50042209
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 53.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50190703
(8-[4-(dipropylamidosulfonyl)phenyl]-1-propylxanthi...)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1 Show InChI InChI=1S/C20H27N5O4S/c1-4-11-24(12-5-2)30(28,29)15-9-7-14(8-10-15)17-21-16-18(22-17)23-20(27)25(13-6-3)19(16)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,22)(H,23,27) | PDB
NCI pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 53.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM31883
(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+ | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50190706
(8-[4-(benzylamidosulfonyl)phenyl]-1-propylxanthine...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 54.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190708
(2-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C15H15N5O6S/c1-19-13-11(14(23)20(2)15(19)24)17-12(18-13)8-3-5-9(6-4-8)27(25,26)16-7-10(21)22/h3-6,16H,7H2,1-2H3,(H,17,18)(H,21,22) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50190701
(8-[4-(isopropylamidosulfonyl)phenyl]-1,3-dimethylx...)Show SMILES CC(C)NS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C16H19N5O4S/c1-9(2)19-26(24,25)11-7-5-10(6-8-11)13-17-12-14(18-13)20(3)16(23)21(4)15(12)22/h5-9,19H,1-4H3,(H,17,18) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50190709
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33) | PDB
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PC sid
UniChem
Similars
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PubMed
| 93.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes |
J Med Chem 49: 4384-91 (2006)
Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP |
More data for this
Ligand-Target Pair | |
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