Found 51 hits of Enzyme Inhibition Constant Data 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)) | BDBM50097821
(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50029774
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8| Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097823
(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:8| Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50029774
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8| Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097823
(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:8| Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097822
(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:11| Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097820
(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:14,t:8| Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50029774
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8| Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097821
(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097820
(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:14,t:8| Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097823
(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:8| Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097821
(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097820
(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:14,t:8| Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097822
(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:11| Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097822
(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:11| Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 875 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alpha |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097822
(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:11| Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097821
(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097821
(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor gamma |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50029774
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8| Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097820
(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:14,t:8| Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097824
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor gamma |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097819
(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097823
(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:8| Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097820
(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:14,t:8| Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097824
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50029774
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8| Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor gamma |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097824
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 435 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097819
(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097825
(4-{(E)-4-[6-(4-tert-Butyl-phenyl)-3,3-dimethyl-cyc...)Show SMILES CC(C)(C)c1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:17,t:11| Show InChI InChI=1S/C29H30O2/c1-28(2,3)25-16-14-22(15-17-25)26-18-19-29(4,5)20-24(26)9-7-6-8-21-10-12-23(13-11-21)27(30)31/h7,9-18,20H,19H2,1-5H3,(H,30,31)/b9-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097823
(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:8| Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097820
(4-[(E)-4-(3,3-Dimethyl-6-p-tolyl-cyclohexa-1,5-die...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:14,t:8| Show InChI InChI=1S/C26H24O2/c1-19-8-12-21(13-9-19)24-16-17-26(2,3)18-23(24)7-5-4-6-20-10-14-22(15-11-20)25(27)28/h5,7-16,18H,17H2,1-3H3,(H,27,28)/b7-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097825
(4-{(E)-4-[6-(4-tert-Butyl-phenyl)-3,3-dimethyl-cyc...)Show SMILES CC(C)(C)c1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:17,t:11| Show InChI InChI=1S/C29H30O2/c1-28(2,3)25-16-14-22(15-17-25)26-18-19-29(4,5)20-24(26)9-7-6-8-21-10-12-23(13-11-21)27(30)31/h7,9-18,20H,19H2,1-5H3,(H,30,31)/b9-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097819
(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097819
(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor beta |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097824
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor beta |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50029774
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-naphthalen-2...)Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8| Show InChI InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097819
(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097824
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alpha |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097821
(4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...)Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097822
(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:11| Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097822
(4-{(E)-4-[2-(4-tert-Butyl-phenyl)-6,6-dimethyl-cyc...)Show SMILES CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:11| Show InChI InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/b11-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor beta |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50097819
(4-[(E)-3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)Show SMILES CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C24H28O2/c1-23(2)14-15-24(3,4)21-16-18(10-13-20(21)23)7-5-6-17-8-11-19(12-9-17)22(25)26/h5-6,8-13,16H,7,14-15H2,1-4H3,(H,25,26)/b6-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor alpha was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097823
(4-[(E)-4-(6,6-Dimethyl-2-p-tolyl-cyclohex-1-enyl)-...)Show SMILES Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:8| Show InChI InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/b9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50097825
(4-{(E)-4-[6-(4-tert-Butyl-phenyl)-3,3-dimethyl-cyc...)Show SMILES CC(C)(C)c1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:17,t:11| Show InChI InChI=1S/C29H30O2/c1-28(2,3)25-16-14-22(15-17-25)26-18-19-29(4,5)20-24(26)9-7-6-8-21-10-12-23(13-11-21)27(30)31/h7,9-18,20H,19H2,1-5H3,(H,30,31)/b9-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
PubMed
| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alpha |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
PubMed
| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50097824
(4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...)Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description
Binding affinity towards retinoic acid receptor beta was determined using [3H]-ATRA (5 nM) as radioligand |
Bioorg Med Chem Lett 11: 765-8 (2001)
BindingDB Entry DOI: 10.7270/Q2348JN3 |
More data for this
Ligand-Target Pair | |
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