Found 84 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 |
|---|
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50012275
(CHEMBL3260000)Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Antagonist activity at human LXR-beta expressed in HEK293 cells assessed as inhibition of T0901317-induced effect after 16 hrs by luciferase reporter... |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012275
(CHEMBL3260000)Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012274
(CHEMBL3259999)Show SMILES CCCCn1c2ccc(cc2c2cc(C)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO2/c1-3-4-9-28-17-8-6-13(19(30,20(22,23)24)21(25,26)27)11-16(17)15-10-12(2)5-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012273
(CHEMBL1765174)Show SMILES CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-8-5-12(19(30,20(22,23)24)21(25,26)27)10-16(17)15-11-13(31-2)6-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012276
(CHEMBL3260001)Show SMILES CCCCn1c2ccc(cc2c2cc(ccc2c1=O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H16F9NO2/c1-2-3-8-31-16-7-5-11(18(33,20(25,26)27)21(28,29)30)9-15(16)14-10-12(19(22,23)24)4-6-13(14)17(31)32/h4-7,9-10,33H,2-3,8H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM50012275
(CHEMBL3260000)Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Antagonist activity at human LXR-alpha expressed in HEK293 cells assessed as inhibition of T0901317-induced effect after 16 hrs by luciferase reporte... |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012260
(CHEMBL1091939)Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012277
(CHEMBL3260002)Show SMILES CCCCn1c2ccc(cc2c2cc(O)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6NO3/c1-2-3-8-27-16-7-4-11(18(30,19(21,22)23)20(24,25)26)9-15(16)14-10-12(28)5-6-13(14)17(27)29/h4-7,9-10,28,30H,2-3,8H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012265
(CHEMBL3259996)Show SMILES CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H15F6NO2/c1-2-9-26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)10-14(15)12-5-3-4-6-13(12)16(26)27/h3-8,10,28H,2,9H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012279
(CHEMBL1091940)Show SMILES CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H21F6NO2/c1-2-3-4-7-12-29-18-11-10-14(20(31,21(23,24)25)22(26,27)28)13-17(18)15-8-5-6-9-16(15)19(29)30/h5-6,8-11,13,31H,2-4,7,12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012275
(CHEMBL3260000)Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012273
(CHEMBL1765174)Show SMILES CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-8-5-12(19(30,20(22,23)24)21(25,26)27)10-16(17)15-11-13(31-2)6-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012279
(CHEMBL1091940)Show SMILES CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H21F6NO2/c1-2-3-4-7-12-29-18-11-10-14(20(31,21(23,24)25)22(26,27)28)13-17(18)15-8-5-6-9-16(15)19(29)30/h5-6,8-11,13,31H,2-4,7,12H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012276
(CHEMBL3260001)Show SMILES CCCCn1c2ccc(cc2c2cc(ccc2c1=O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H16F9NO2/c1-2-3-8-31-16-7-5-11(18(33,20(25,26)27)21(28,29)30)9-15(16)14-10-12(19(22,23)24)4-6-13(14)17(31)32/h4-7,9-10,33H,2-3,8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012277
(CHEMBL3260002)Show SMILES CCCCn1c2ccc(cc2c2cc(O)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6NO3/c1-2-3-8-27-16-7-4-11(18(30,19(21,22)23)20(24,25)26)9-15(16)14-10-12(28)5-6-13(14)17(27)29/h4-7,9-10,28,30H,2-3,8H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012276
(CHEMBL3260001)Show SMILES CCCCn1c2ccc(cc2c2cc(ccc2c1=O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H16F9NO2/c1-2-3-8-31-16-7-5-11(18(33,20(25,26)27)21(28,29)30)9-15(16)14-10-12(19(22,23)24)4-6-13(14)17(31)32/h4-7,9-10,33H,2-3,8H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012275
(CHEMBL3260000)Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012238
(CHEMBL1765175)Show SMILES CCCCn1c2ccc(cc2c2c(OC)cccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-10-28-15-9-8-12(19(30,20(22,23)24)21(25,26)27)11-14(15)17-13(18(28)29)6-5-7-16(17)31-2/h5-9,11,30H,3-4,10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012262
(CHEMBL1090463)Show SMILES OC(c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H21F6NO2/c24-22(25,26)21(32,23(27,28)29)15-10-11-19-18(12-15)16-8-4-5-9-17(16)20(31)30(19)13-14-6-2-1-3-7-14/h4-5,8-12,14,32H,1-3,6-7,13H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012259
(CHEMBL3259995)Show SMILES CC(C)n1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H15F6NO2/c1-10(2)26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)9-14(15)12-5-3-4-6-13(12)16(26)27/h3-10,28H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012277
(CHEMBL3260002)Show SMILES CCCCn1c2ccc(cc2c2cc(O)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6NO3/c1-2-3-8-27-16-7-4-11(18(30,19(21,22)23)20(24,25)26)9-15(16)14-10-12(28)5-6-13(14)17(27)29/h4-7,9-10,28,30H,2-3,8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012260
(CHEMBL1091939)Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012274
(CHEMBL3259999)Show SMILES CCCCn1c2ccc(cc2c2cc(C)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO2/c1-3-4-9-28-17-8-6-13(19(30,20(22,23)24)21(25,26)27)11-16(17)15-10-12(2)5-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012238
(CHEMBL1765175)Show SMILES CCCCn1c2ccc(cc2c2c(OC)cccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-10-28-15-9-8-12(19(30,20(22,23)24)21(25,26)27)11-14(15)17-13(18(28)29)6-5-7-16(17)31-2/h5-9,11,30H,3-4,10H2,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012279
(CHEMBL1091940)Show SMILES CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H21F6NO2/c1-2-3-4-7-12-29-18-11-10-14(20(31,21(23,24)25)22(26,27)28)13-17(18)15-8-5-6-9-16(15)19(29)30/h5-6,8-11,13,31H,2-4,7,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012274
(CHEMBL3259999)Show SMILES CCCCn1c2ccc(cc2c2cc(C)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO2/c1-3-4-9-28-17-8-6-13(19(30,20(22,23)24)21(25,26)27)11-16(17)15-10-12(2)5-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012273
(CHEMBL1765174)Show SMILES CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-8-5-12(19(30,20(22,23)24)21(25,26)27)10-16(17)15-11-13(31-2)6-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012248
(CHEMBL1765167)Show SMILES CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-16-11-17(31-2)15(19(30,20(22,23)24)21(25,26)27)10-14(16)12-7-5-6-8-13(12)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012239
(CHEMBL1092222)Show InChI InChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012265
(CHEMBL3259996)Show SMILES CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H15F6NO2/c1-2-9-26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)10-14(15)12-5-3-4-6-13(12)16(26)27/h3-8,10,28H,2,9H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012262
(CHEMBL1090463)Show SMILES OC(c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H21F6NO2/c24-22(25,26)21(32,23(27,28)29)15-10-11-19-18(12-15)16-8-4-5-9-17(16)20(31)30(19)13-14-6-2-1-3-7-14/h4-5,8-12,14,32H,1-3,6-7,13H2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012206
(CHEMBL1093518)Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012239
(CHEMBL1092222)Show InChI InChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012238
(CHEMBL1765175)Show SMILES CCCCn1c2ccc(cc2c2c(OC)cccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-10-28-15-9-8-12(19(30,20(22,23)24)21(25,26)27)11-14(15)17-13(18(28)29)6-5-7-16(17)31-2/h5-9,11,30H,3-4,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012248
(CHEMBL1765167)Show SMILES CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-16-11-17(31-2)15(19(30,20(22,23)24)21(25,26)27)10-14(16)12-7-5-6-8-13(12)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012239
(CHEMBL1092222)Show InChI InChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012258
(CHEMBL3259993)Show SMILES OC(c1ccc2n(CC3CC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H15F6NO2/c21-19(22,23)18(29,20(24,25)26)12-7-8-16-15(9-12)13-3-1-2-4-14(13)17(28)27(16)10-11-5-6-11/h1-4,7-9,11,29H,5-6,10H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012259
(CHEMBL3259995)Show SMILES CC(C)n1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H15F6NO2/c1-10(2)26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)9-14(15)12-5-3-4-6-13(12)16(26)27/h3-10,28H,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012260
(CHEMBL1091939)Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012206
(CHEMBL1093518)Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012268
(CHEMBL1765172)Show SMILES CCCCn1c2c(OC)cc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-15(13-7-5-6-8-14(13)18(28)29)10-12(11-16(17)31-2)19(30,20(22,23)24)21(25,26)27/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012268
(CHEMBL1765172)Show SMILES CCCCn1c2c(OC)cc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-15(13-7-5-6-8-14(13)18(28)29)10-12(11-16(17)31-2)19(30,20(22,23)24)21(25,26)27/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012268
(CHEMBL1765172)Show SMILES CCCCn1c2c(OC)cc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-15(13-7-5-6-8-14(13)18(28)29)10-12(11-16(17)31-2)19(30,20(22,23)24)21(25,26)27/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012206
(CHEMBL1093518)Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012261
(CHEMBL1093016)Show InChI InChI=1S/C17H17NO/c1-2-3-12-18-16-11-7-6-9-14(16)13-8-4-5-10-15(13)17(18)19/h4-11H,2-3,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012262
(CHEMBL1090463)Show SMILES OC(c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H21F6NO2/c24-22(25,26)21(32,23(27,28)29)15-10-11-19-18(12-15)16-8-4-5-9-17(16)20(31)30(19)13-14-6-2-1-3-7-14/h4-5,8-12,14,32H,1-3,6-7,13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012263
(CHEMBL3259997)Show InChI InChI=1S/C23H29NO/c1-3-5-7-8-11-18-14-15-22-21(17-18)19-12-9-10-13-20(19)23(25)24(22)16-6-4-2/h9-10,12-15,17H,3-8,11,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012264
(CHEMBL1089421)Show InChI InChI=1S/C21H25NO/c1-5-6-13-22-19-12-11-15(21(2,3)4)14-18(19)16-9-7-8-10-17(16)20(22)23/h7-12,14H,5-6,13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012265
(CHEMBL3259996)Show SMILES CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H15F6NO2/c1-2-9-26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)10-14(15)12-5-3-4-6-13(12)16(26)27/h3-8,10,28H,2,9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012248
(CHEMBL1765167)Show SMILES CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-16-11-17(31-2)15(19(30,20(22,23)24)21(25,26)27)10-14(16)12-7-5-6-8-13(12)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012263
(CHEMBL3259997)Show InChI InChI=1S/C23H29NO/c1-3-5-7-8-11-18-14-15-22-21(17-18)19-12-9-10-13-20(19)23(25)24(22)16-6-4-2/h9-10,12-15,17H,3-8,11,16H2,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012258
(CHEMBL3259993)Show SMILES OC(c1ccc2n(CC3CC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H15F6NO2/c21-19(22,23)18(29,20(24,25)26)12-7-8-16-15(9-12)13-3-1-2-4-14(13)17(28)27(16)10-11-5-6-11/h1-4,7-9,11,29H,5-6,10H2 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012264
(CHEMBL1089421)Show InChI InChI=1S/C21H25NO/c1-5-6-13-22-19-12-11-15(21(2,3)4)14-18(19)16-9-7-8-10-17(16)20(22)23/h7-12,14H,5-6,13H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012266
(CHEMBL1088839)Show InChI InChI=1S/C20H23NO/c1-4-5-12-21-19-11-10-15(14(2)3)13-18(19)16-8-6-7-9-17(16)20(21)22/h6-11,13-14H,4-5,12H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012259
(CHEMBL3259995)Show SMILES CC(C)n1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H15F6NO2/c1-10(2)26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)9-14(15)12-5-3-4-6-13(12)16(26)27/h3-10,28H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012264
(CHEMBL1089421)Show InChI InChI=1S/C21H25NO/c1-5-6-13-22-19-12-11-15(21(2,3)4)14-18(19)16-9-7-8-10-17(16)20(22)23/h7-12,14H,5-6,13H2,1-4H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012263
(CHEMBL3259997)Show InChI InChI=1S/C23H29NO/c1-3-5-7-8-11-18-14-15-22-21(17-18)19-12-9-10-13-20(19)23(25)24(22)16-6-4-2/h9-10,12-15,17H,3-8,11,16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012261
(CHEMBL1093016)Show InChI InChI=1S/C17H17NO/c1-2-3-12-18-16-11-7-6-9-14(16)13-8-4-5-10-15(13)17(18)19/h4-11H,2-3,12H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012258
(CHEMBL3259993)Show SMILES OC(c1ccc2n(CC3CC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H15F6NO2/c21-19(22,23)18(29,20(24,25)26)12-7-8-16-15(9-12)13-3-1-2-4-14(13)17(28)27(16)10-11-5-6-11/h1-4,7-9,11,29H,5-6,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012261
(CHEMBL1093016)Show InChI InChI=1S/C17H17NO/c1-2-3-12-18-16-11-7-6-9-14(16)13-8-4-5-10-15(13)17(18)19/h4-11H,2-3,12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012266
(CHEMBL1088839)Show InChI InChI=1S/C20H23NO/c1-4-5-12-21-19-11-10-15(14(2)3)13-18(19)16-8-6-7-9-17(16)20(21)22/h6-11,13-14H,4-5,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012267
(CHEMBL1093312)Show InChI InChI=1S/C18H19NO/c1-3-4-11-19-17-10-9-13(2)12-16(17)14-7-5-6-8-15(14)18(19)20/h5-10,12H,3-4,11H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012266
(CHEMBL1088839)Show InChI InChI=1S/C20H23NO/c1-4-5-12-21-19-11-10-15(14(2)3)13-18(19)16-8-6-7-9-17(16)20(21)22/h6-11,13-14H,4-5,12H2,1-3H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012267
(CHEMBL1093312)Show InChI InChI=1S/C18H19NO/c1-3-4-11-19-17-10-9-13(2)12-16(17)14-7-5-6-8-15(14)18(19)20/h5-10,12H,3-4,11H2,1-2H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012267
(CHEMBL1093312)Show InChI InChI=1S/C18H19NO/c1-3-4-11-19-17-10-9-13(2)12-16(17)14-7-5-6-8-15(14)18(19)20/h5-10,12H,3-4,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50396595
(CHEMBL2171906)Show SMILES Cn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H11F6NO2/c1-24-13-7-6-9(15(26,16(18,19)20)17(21,22)23)8-12(13)10-4-2-3-5-11(10)14(24)25/h2-8,26H,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012271
(CHEMBL1093421)Show SMILES CCCCCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H27F6NO2/c1-2-3-4-5-6-7-10-15-32-21-14-13-17(23(34,24(26,27)28)25(29,30)31)16-20(21)18-11-8-9-12-19(18)22(32)33/h8-9,11-14,16,34H,2-7,10,15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012272
(CHEMBL1088840)Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012270
(CHEMBL1093517)Show SMILES CCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H13F6NO2/c1-2-25-14-8-7-10(16(27,17(19,20)21)18(22,23)24)9-13(14)11-5-3-4-6-12(11)15(25)26/h3-9,27H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012269
(CHEMBL3259994)Show SMILES OC(c1ccc2[nH]c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H9F6NO2/c17-15(18,19)14(25,16(20,21)22)8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(24)23-12/h1-7,25H,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50396595
(CHEMBL2171906)Show SMILES Cn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H11F6NO2/c1-24-13-7-6-9(15(26,16(18,19)20)17(21,22)23)8-12(13)10-4-2-3-5-11(10)14(24)25/h2-8,26H,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012270
(CHEMBL1093517)Show SMILES CCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H13F6NO2/c1-2-25-14-8-7-10(16(27,17(19,20)21)18(22,23)24)9-13(14)11-5-3-4-6-12(11)15(25)26/h3-9,27H,2H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012269
(CHEMBL3259994)Show SMILES OC(c1ccc2[nH]c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H9F6NO2/c17-15(18,19)14(25,16(20,21)22)8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(24)23-12/h1-7,25H,(H,23,24) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50396595
(CHEMBL2171906)Show SMILES Cn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H11F6NO2/c1-24-13-7-6-9(15(26,16(18,19)20)17(21,22)23)8-12(13)10-4-2-3-5-11(10)14(24)25/h2-8,26H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012271
(CHEMBL1093421)Show SMILES CCCCCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H27F6NO2/c1-2-3-4-5-6-7-10-15-32-21-14-13-17(23(34,24(26,27)28)25(29,30)31)16-20(21)18-11-8-9-12-19(18)22(32)33/h8-9,11-14,16,34H,2-7,10,15H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012271
(CHEMBL1093421)Show SMILES CCCCCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H27F6NO2/c1-2-3-4-5-6-7-10-15-32-21-14-13-17(23(34,24(26,27)28)25(29,30)31)16-20(21)18-11-8-9-12-19(18)22(32)33/h8-9,11-14,16,34H,2-7,10,15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012270
(CHEMBL1093517)Show SMILES CCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H13F6NO2/c1-2-25-14-8-7-10(16(27,17(19,20)21)18(22,23)24)9-13(14)11-5-3-4-6-12(11)15(25)26/h3-9,27H,2H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50012272
(CHEMBL1088840)Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50012272
(CHEMBL1088840)Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50012269
(CHEMBL3259994)Show SMILES OC(c1ccc2[nH]c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H9F6NO2/c17-15(18,19)14(25,16(20,21)22)8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(24)23-12/h1-7,25H,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
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DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Agonist activity at human LXR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Agonist activity at human LXR-alpha expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay |
Bioorg Med Chem 22: 2799-808 (2014)
Article DOI: 10.1016/j.bmc.2014.03.007
BindingDB Entry DOI: 10.7270/Q28K7BN8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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