Found 81 hits with Last Name = 'jarvis' and Initial = 'ci' 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 RXR-alpha
(Homo sapiens (Human)) | BDBM50454190
(CHEMBL4202767)Show SMILES CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C20H22ClNO5/c1-5-26-18-16(21)9-13(10-17(18)27-11(2)3)19(23)22-14-6-7-15(20(24)25)12(4)8-14/h6-11H,5H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-9-cis-retinoic acid from recombinant human full length RXRalpha after 16 hrs by scintillation counting analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50454190
(CHEMBL4202767)Show SMILES CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C20H22ClNO5/c1-5-26-18-16(21)9-13(10-17(18)27-11(2)3)19(23)22-14-6-7-15(20(24)25)12(4)8-14/h6-11H,5H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-9-cis-retinoic acid from recombinant human full length RXRbeta after 24 hrs by scintillation counting analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50120065
(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)Show SMILES CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 Show InChI InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(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
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454190
(CHEMBL4202767)Show SMILES CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C20H22ClNO5/c1-5-26-18-16(21)9-13(10-17(18)27-11(2)3)19(23)22-14-6-7-15(20(24)25)12(4)8-14/h6-11H,5H2,1-4H3,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50120065
(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)Show SMILES CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 Show InChI InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50454190
(CHEMBL4202767)Show SMILES CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C20H22ClNO5/c1-5-26-18-16(21)9-13(10-17(18)27-11(2)3)19(23)22-14-6-7-15(20(24)25)12(4)8-14/h6-11H,5H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454190
(CHEMBL4202767)Show SMILES CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C20H22ClNO5/c1-5-26-18-16(21)9-13(10-17(18)27-11(2)3)19(23)22-14-6-7-15(20(24)25)12(4)8-14/h6-11H,5H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50120065
(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)Show SMILES CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 Show InChI InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(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
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50454190
(CHEMBL4202767)Show SMILES CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C20H22ClNO5/c1-5-26-18-16(21)9-13(10-17(18)27-11(2)3)19(23)22-14-6-7-15(20(24)25)12(4)8-14/h6-11H,5H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50120065
(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)Show SMILES CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 Show InChI InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(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
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50526314
(CHEMBL4459692 | US10752616, Code No. BHBA-001)Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50526314
(CHEMBL4459692 | US10752616, Code No. BHBA-001)Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50526314
(CHEMBL4459692 | US10752616, Code No. BHBA-001)Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50526314
(CHEMBL4459692 | US10752616, Code No. BHBA-001)Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50526314
(CHEMBL4459692 | US10752616, Code No. BHBA-001)Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454190
(CHEMBL4202767)Show SMILES CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1 Show InChI InChI=1S/C20H22ClNO5/c1-5-26-18-16(21)9-13(10-17(18)27-11(2)3)19(23)22-14-6-7-15(20(24)25)12(4)8-14/h6-11H,5H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50120065
(4-[(4-Chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8...)Show SMILES CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 Show InChI InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(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
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Mus musculus) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of mouse Gal4-fused RARgamma-LBD expressed in COS-7 cells after 1 day by bright-Glo reagent based assay |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Mus musculus) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.520 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of mouse Gal4-fused RARbeta-LBD expressed in COS-7 cells after 1 day by bright-Glo reagent based assay |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of mouse Gal4-fused RARalpha-LBD expressed in COS-7 cells after 1 day by bright-Glo reagent based assay |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
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
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of human Gal4-DBD-fused RARalpha-LBD expressed in HEK293T cells after 16 to 24 hrs by FRET based beta-lactamase reporter gene assay |
Bioorg Med Chem 26: 798-814 (2018)
Article DOI: 10.1016/j.bmc.2017.12.015
BindingDB Entry DOI: 10.7270/Q2WH2SKR |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Mus musculus) | BDBM50526311
(CHEMBL4588745)Show SMILES CCOc1c(Cl)cc(cc1Cl)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-2-24-14-12(18)7-11(8-13(14)19)16-20-15(21-25-16)9-3-5-10(6-4-9)17(22)23/h3-8H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526312
(CHEMBL4449668 | US10752616, Code No. BHBA-007)Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(C(O)=O)c(F)c1 Show InChI InChI=1S/C19H13FN2O4/c1-9-3-4-10(2)16-13(9)8-15(25-16)18-21-17(22-26-18)11-5-6-12(19(23)24)14(20)7-11/h3-8H,1-2H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Mus musculus) | BDBM50526313
(CHEMBL4469143 | US10752616, Code No. BHBA-006)Show SMILES Cc1cc(ccc1C(O)=O)-c1noc(n1)-c1cc2c(C)ccc(C)c2o1 Show InChI InChI=1S/C20H16N2O4/c1-10-4-5-11(2)17-15(10)9-16(25-17)19-21-18(22-26-19)13-6-7-14(20(23)24)12(3)8-13/h4-9H,1-3H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526311
(CHEMBL4588745)Show SMILES CCOc1c(Cl)cc(cc1Cl)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-2-24-14-12(18)7-11(8-13(14)19)16-20-15(21-25-16)9-3-5-10(6-4-9)17(22)23/h3-8H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Mus musculus) | BDBM50526311
(CHEMBL4588745)Show SMILES CCOc1c(Cl)cc(cc1Cl)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-2-24-14-12(18)7-11(8-13(14)19)16-20-15(21-25-16)9-3-5-10(6-4-9)17(22)23/h3-8H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Mus musculus) | BDBM50526313
(CHEMBL4469143 | US10752616, Code No. BHBA-006)Show SMILES Cc1cc(ccc1C(O)=O)-c1noc(n1)-c1cc2c(C)ccc(C)c2o1 Show InChI InChI=1S/C20H16N2O4/c1-10-4-5-11(2)17-15(10)9-16(25-17)19-21-18(22-26-19)13-6-7-14(20(23)24)12(3)8-13/h4-9H,1-3H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50526314
(CHEMBL4459692 | US10752616, Code No. BHBA-001)Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4 DBD-fused human RARbeta-LBD expressed in HEK293 cells by beta-lactamase reporter gene based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Mus musculus) | BDBM50413272
(AC-261066 | CHEMBL198997)Show InChI InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Mus musculus) | BDBM50526315
(CHEMBL4439399 | US10752616, Code No. BHBA-019)Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)-c1cc2c(ccc(F)c2o1)C(F)(F)F Show InChI InChI=1S/C18H8F4N2O4/c19-12-6-5-11(18(20,21)22)10-7-13(27-14(10)12)16-23-15(24-28-16)8-1-3-9(4-2-8)17(25)26/h1-7H,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526316
(CHEMBL4531897)Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1F)C(O)=O Show InChI InChI=1S/C19H13FN2O4/c1-9-3-4-10(2)16-13(9)8-15(25-16)18-21-17(22-26-18)12-6-5-11(19(23)24)7-14(12)20/h3-8H,1-2H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526317
(CHEMBL4437942)Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N2O3/c1-22(2)11-12-23(3,4)18-13-16(9-10-17(18)22)20-24-19(25-28-20)14-5-7-15(8-6-14)21(26)27/h5-10,13H,11-12H2,1-4H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526318
(CHEMBL4215742)Show InChI InChI=1S/C16H13Cl2NO4/c1-2-23-14-12(17)7-10(8-13(14)18)15(20)19-11-5-3-9(4-6-11)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Mus musculus) | BDBM50526315
(CHEMBL4439399 | US10752616, Code No. BHBA-019)Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)-c1cc2c(ccc(F)c2o1)C(F)(F)F Show InChI InChI=1S/C18H8F4N2O4/c19-12-6-5-11(18(20,21)22)10-7-13(27-14(10)12)16-23-15(24-28-16)8-1-3-9(4-2-8)17(25)26/h1-7H,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.60 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Mus musculus) | BDBM50413272
(AC-261066 | CHEMBL198997)Show InChI InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Mus musculus) | BDBM50526319
(CHEMBL4517145)Show SMILES CCOc1c(Cl)cc(cc1Cl)-c1cnc(o1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H13Cl2NO4/c1-2-24-16-13(19)7-12(8-14(16)20)15-9-21-17(25-15)10-3-5-11(6-4-10)18(22)23/h3-9H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Mus musculus) | BDBM50526318
(CHEMBL4215742)Show InChI InChI=1S/C16H13Cl2NO4/c1-2-23-14-12(17)7-10(8-13(14)18)15(20)19-11-5-3-9(4-6-11)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor beta
(Mus musculus) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50048292
(6-[4-Methoxy-3-(1-methyl-cyclohexyl)-phenyl]-napht...)Show SMILES COc1ccc(cc1C1(C)CCCCC1)-c1ccc2cc(ccc2c1)C(O)=O Show InChI InChI=1S/C25H26O3/c1-25(12-4-3-5-13-25)22-16-20(10-11-23(22)28-2)18-6-7-19-15-21(24(26)27)9-8-17(19)14-18/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526320
(CHEMBL4448702)Show SMILES Cc1cc(ccc1-c1noc(n1)-c1cc2c(C)ccc(C)c2o1)C(O)=O Show InChI InChI=1S/C20H16N2O4/c1-10-4-5-11(2)17-15(10)9-16(25-17)19-21-18(22-26-19)14-7-6-13(20(23)24)8-12(14)3/h4-9H,1-3H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526313
(CHEMBL4469143 | US10752616, Code No. BHBA-006)Show SMILES Cc1cc(ccc1C(O)=O)-c1noc(n1)-c1cc2c(C)ccc(C)c2o1 Show InChI InChI=1S/C20H16N2O4/c1-10-4-5-11(2)17-15(10)9-16(25-17)19-21-18(22-26-19)13-6-7-14(20(23)24)12(3)8-13/h4-9H,1-3H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526315
(CHEMBL4439399 | US10752616, Code No. BHBA-019)Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)-c1cc2c(ccc(F)c2o1)C(F)(F)F Show InChI InChI=1S/C18H8F4N2O4/c19-12-6-5-11(18(20,21)22)10-7-13(27-14(10)12)16-23-15(24-28-16)8-1-3-9(4-2-8)17(25)26/h1-7H,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526314
(CHEMBL4459692 | US10752616, Code No. BHBA-001)Show SMILES Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526321
(CHEMBL4572914)Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1nc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H26N2O3/c1-22(2,3)17-11-16(12-18(13-17)23(4,5)6)20-24-19(25-28-20)14-7-9-15(10-8-14)21(26)27/h7-13H,1-6H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526322
(CHEMBL4442948)Show SMILES CCOc1c(Cl)cc(cc1Cl)-c1noc(n1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-2-24-14-12(18)7-11(8-13(14)19)15-20-16(25-21-15)9-3-5-10(6-4-9)17(22)23/h3-8H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526319
(CHEMBL4517145)Show SMILES CCOc1c(Cl)cc(cc1Cl)-c1cnc(o1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H13Cl2NO4/c1-2-24-16-13(19)7-12(8-14(16)20)15-9-21-17(25-15)10-3-5-11(6-4-10)18(22)23/h3-9H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | BDBM50526323
(CHEMBL4539676)Show SMILES CCOc1c(Cl)cc(cc1Cl)-c1csc(n1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H13Cl2NO3S/c1-2-24-16-13(19)7-12(8-14(16)20)15-9-25-17(21-15)10-3-5-11(6-4-10)18(22)23/h3-9H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor alpha
(Mus musculus) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Mus musculus) | 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
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor gamma
(Mus musculus) | BDBM50526322
(CHEMBL4442948)Show SMILES CCOc1c(Cl)cc(cc1Cl)-c1noc(n1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-2-24-14-12(18)7-11(8-13(14)19)15-20-16(25-21-15)9-3-5-10(6-4-9)17(22)23/h3-8H,2H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a |
King's College
Curated by ChEMBL
| Assay Description
Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay |
Bioorg Med Chem Lett 29: 995-1000 (2019)
Article DOI: 10.1016/j.bmcl.2019.02.011
BindingDB Entry DOI: 10.7270/Q25142NC |
More data for this
Ligand-Target Pair | |
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