BindingDB logo
myBDB logout

PubMed code 23232056

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424521
PNG
(CHEMBL2312113)
Show SMILES COc1cc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccc3OCOc3c2)c(OC)c1
Show InChI InChI=1S/C25H31NO6/c1-15-7-16(2)13-26(12-15)24(28)11-19(17-5-6-21-22(8-17)32-14-31-21)25-20(27)9-18(29-3)10-23(25)30-4/h5-6,8-10,15-16,19,27H,7,11-14H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-T0903017 from GST-tagged ROR-gamma (unknown origin) after 20 hrs

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424521
PNG
(CHEMBL2312113)
Show SMILES COc1cc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccc3OCOc3c2)c(OC)c1
Show InChI InChI=1S/C25H31NO6/c1-15-7-16(2)13-26(12-15)24(28)11-19(17-5-6-21-22(8-17)32-14-31-21)25-20(27)9-18(29-3)10-23(25)30-4/h5-6,8-10,15-16,19,27H,7,11-14H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424520
PNG
(CHEMBL2312126)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CC(C)CC(C)C1)c1c(O)cc(OC)cc1OC
Show InChI InChI=1S/C25H33NO5/c1-16-10-17(2)15-26(14-16)24(28)13-21(18-6-8-19(29-3)9-7-18)25-22(27)11-20(30-4)12-23(25)31-5/h6-9,11-12,16-17,21,27H,10,13-15H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-T0903017 from GST-tagged ROR-gamma (unknown origin) after 20 hrs

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424519
PNG
(CHEMBL2312134)
Show SMILES COc1cc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccccc2OC)c(OC)c1
Show InChI InChI=1S/C25H33NO5/c1-16-10-17(2)15-26(14-16)24(28)13-20(19-8-6-7-9-22(19)30-4)25-21(27)11-18(29-3)12-23(25)31-5/h6-9,11-12,16-17,20,27H,10,13-15H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 106n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-T0903017 from GST-tagged ROR-gamma (unknown origin) after 20 hrs

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424520
PNG
(CHEMBL2312126)
Show SMILES COc1ccc(cc1)C(CC(=O)N1CC(C)CC(C)C1)c1c(O)cc(OC)cc1OC
Show InChI InChI=1S/C25H33NO5/c1-16-10-17(2)15-26(14-16)24(28)13-21(18-6-8-19(29-3)9-7-18)25-22(27)11-20(30-4)12-23(25)31-5/h6-9,11-12,16-17,21,27H,10,13-15H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 114n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424519
PNG
(CHEMBL2312134)
Show SMILES COc1cc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccccc2OC)c(OC)c1
Show InChI InChI=1S/C25H33NO5/c1-16-10-17(2)15-26(14-16)24(28)13-20(19-8-6-7-9-22(19)30-4)25-21(27)11-18(29-3)12-23(25)31-5/h6-9,11-12,16-17,20,27H,10,13-15H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 265n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424523
PNG
(CHEMBL2312133)
Show SMILES CC1CC(C)CN(C1)C(=O)CC(c1ccc2OCOc2c1)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C27H29NO4/c1-17-11-18(2)15-28(14-17)26(30)13-22(20-8-10-24-25(12-20)32-16-31-24)27-21-6-4-3-5-19(21)7-9-23(27)29/h3-10,12,17-18,22,29H,11,13-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424531
PNG
(CHEMBL2312118)
Show SMILES COc1cc(O)c(C(CC(=O)N2CCC(CC2)c2ccccc2)c2ccc3OCOc3c2)c(OC)c1
Show InChI InChI=1S/C29H31NO6/c1-33-22-15-24(31)29(27(16-22)34-2)23(21-8-9-25-26(14-21)36-18-35-25)17-28(32)30-12-10-20(11-13-30)19-6-4-3-5-7-19/h3-9,14-16,20,23,31H,10-13,17-18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424527
PNG
(CHEMBL2312129)
Show SMILES CCCOc1ccc(O)c(c1)C(CC(=O)N1CC(C)CC(C)C1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H33NO5/c1-4-9-30-20-6-7-23(28)22(12-20)21(19-5-8-24-25(11-19)32-16-31-24)13-26(29)27-14-17(2)10-18(3)15-27/h5-8,11-12,17-18,21,28H,4,9-10,13-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424528
PNG
(CHEMBL2312128)
Show SMILES CCOc1ccc(O)c(c1)C(CC(=O)N1CC(C)CC(C)C1)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H31NO5/c1-4-29-19-6-7-22(27)21(11-19)20(18-5-8-23-24(10-18)31-15-30-23)12-25(28)26-13-16(2)9-17(3)14-26/h5-8,10-11,16-17,20,27H,4,9,12-15H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424524
PNG
(CHEMBL2312132)
Show SMILES CC1CC(C)CN(C1)C(=O)CC(c1ccc2OCOc2c1)c1c(O)cccc1Oc1ccccc1
Show InChI InChI=1S/C29H31NO5/c1-19-13-20(2)17-30(16-19)28(32)15-23(21-11-12-25-27(14-21)34-18-33-25)29-24(31)9-6-10-26(29)35-22-7-4-3-5-8-22/h3-12,14,19-20,23,31H,13,15-18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424525
PNG
(CHEMBL2312131)
Show SMILES CC1CC(C)CN(C1)C(=O)CC(c1ccc2OCOc2c1)c1cc(C)ccc1O
Show InChI InChI=1S/C24H29NO4/c1-15-4-6-21(26)20(9-15)19(18-5-7-22-23(10-18)29-14-28-22)11-24(27)25-12-16(2)8-17(3)13-25/h4-7,9-10,16-17,19,26H,8,11-14H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424530
PNG
(CHEMBL2312122)
Show SMILES COc1cc(O)c(C(CC(=O)N2CCCC(C2)C(F)(F)F)c2ccc3OCOc3c2)c(OC)c1
Show InChI InChI=1S/C24H26F3NO6/c1-31-16-9-18(29)23(21(10-16)32-2)17(14-5-6-19-20(8-14)34-13-33-19)11-22(30)28-7-3-4-15(12-28)24(25,26)27/h5-6,8-10,15,17,29H,3-4,7,11-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424529
PNG
(CHEMBL2312127)
Show SMILES CCc1ccc(O)c(c1)C(CC(=O)N1CC(C)CC(C)C1)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H31NO4/c1-4-18-5-7-22(27)21(10-18)20(19-6-8-23-24(11-19)30-15-29-23)12-25(28)26-13-16(2)9-17(3)14-26/h5-8,10-11,16-17,20,27H,4,9,12-15H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424526
PNG
(CHEMBL2312130)
Show SMILES CC1CC(C)CN(C1)C(=O)CC(c1ccc2OCOc2c1)c1c(C)cccc1O
Show InChI InChI=1S/C24H29NO4/c1-15-9-16(2)13-25(12-15)23(27)11-19(24-17(3)5-4-6-20(24)26)18-7-8-21-22(10-18)29-14-28-21/h4-8,10,15-16,19,26H,9,11-14H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50424522
PNG
(CHEMBL2312138)
Show SMILES CC1CC(C)CN(C1)C(=O)CC(c1ccc(C)cc1)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C27H31NO2/c1-18-8-10-22(11-9-18)24(15-26(30)28-16-19(2)14-20(3)17-28)27-23-7-5-4-6-21(23)12-13-25(27)29/h4-13,19-20,24,29H,14-17H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 532-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.025
BindingDB Entry DOI: 10.7270/Q2KW5HCW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%