BindingDB logo
myBDB logout

PubMed code 27261179

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178953
PNG
(CHEMBL3815166)
Show SMILES CC(C)(C)c1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H26N2O4S/c1-27(2,3)21-7-5-6-20(16-21)25-17-24(18-8-10-19(11-9-18)26(30)31)28-29(25)22-12-14-23(15-13-22)34(4,32)33/h5-17H,1-4H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178952
PNG
(CHEMBL3814574)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H32N2O4S/c1-30(2)16-17-31(3,4)26-18-22(10-15-25(26)30)28-19-27(20-6-8-21(9-7-20)29(34)35)32-33(28)23-11-13-24(14-12-23)38(5,36)37/h6-15,18-19H,16-17H2,1-5H3,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178954
PNG
(CHEMBL3813779)
Show SMILES Cc1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N2O4S/c1-18-14-21(16-22(15-18)28(2,3)4)26-17-25(19-6-8-20(9-7-19)27(31)32)29-30(26)23-10-12-24(13-11-23)35(5,33)34/h6-17H,1-5H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178961
PNG
(CHEMBL2385268)
Show SMILES CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178955
PNG
(CHEMBL3813965)
Show SMILES CC(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H32N2O4S/c1-19(2)22-15-23(17-24(16-22)30(3,4)5)28-18-27(20-7-9-21(10-8-20)29(33)34)31-32(28)25-11-13-26(14-12-25)37(6,35)36/h7-19H,1-6H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178956
PNG
(CHEMBL3813807)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H34N2O4S/c1-30(2,3)23-16-22(17-24(18-23)31(4,5)6)28-19-27(20-8-10-21(11-9-20)29(34)35)32-33(28)25-12-14-26(15-13-25)38(7,36)37/h8-19H,1-7H3,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
461n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178959
PNG
(CHEMBL3814385)
Show SMILES CN(C)C(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H37N3O3/c1-32(2,3)25-17-24(18-26(19-25)33(4,5)6)29-20-28(21-9-11-23(12-10-21)31(38)39)34-36(29)27-15-13-22(14-16-27)30(37)35(7)8/h9-20H,1-8H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178957
PNG
(CHEMBL3814015)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H37N3O4S/c1-31(2,3)24-17-23(18-25(19-24)32(4,5)6)29-20-28(21-9-11-22(12-10-21)30(36)37)33-35(29)26-13-15-27(16-14-26)40(38,39)34(7)8/h9-20H,1-8H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178958
PNG
(CHEMBL3813975)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)C(N)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H33N3O3/c1-30(2,3)23-15-22(16-24(17-23)31(4,5)6)27-18-26(19-7-9-21(10-8-19)29(36)37)33-34(27)25-13-11-20(12-14-25)28(32)35/h7-18H,1-6H3,(H2,32,35)(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178960
PNG
(CHEMBL3813702)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C35H39N3O4/c1-34(2,3)27-19-26(20-28(21-27)35(4,5)6)31-22-30(23-7-9-25(10-8-23)33(40)41)36-38(31)29-13-11-24(12-14-29)32(39)37-15-17-42-18-16-37/h7-14,19-22H,15-18H2,1-6H3,(H,40,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178962
PNG
(CHEMBL3814815)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C36H42N4O3/c1-35(2,3)28-20-27(21-29(22-28)36(4,5)6)32-23-31(24-8-10-26(11-9-24)34(42)43)37-40(32)30-14-12-25(13-15-30)33(41)39-18-16-38(7)17-19-39/h8-15,20-23H,16-19H2,1-7H3,(H,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%