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Compile Data Set for Download or QSAR

Found 278 hits with Last Name = 'shaikh' and Initial = 'ns'   
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
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555248
PNG
(USRE49080, Example 16)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3CCCNc3c2)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555247
PNG
(USRE49080, Example 15)
Show SMILES COc1ccc(CC2CCCc3cc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc23)cc1 |r|
PDB

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antibodypedia
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555251
PNG
(USRE49080, Example 21)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3OCCCc3c2)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555242
PNG
(USRE49080, Example 8)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3OCCNc3c2)c1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.25n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555255
PNG
(USRE49080, Example 28)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3NCCOc3c2)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.330n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555263
PNG
(USRE49080, Example 42)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3NC(=O)COc3c2)c1 |r|
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UniProtKB/SwissProt

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n/an/a 0.350n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555252
PNG
(USRE49080, Example 22)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3OCCc3c2)c1 |r|
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antibodypedia
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50560402
PNG
(LIK-066 | Licogliflozin | Lik066 | USRE49080, Exam...)
Show SMILES CCc1ccc(cc1Cc1ccc2OCCOc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555250
PNG
(USRE49080, Example 20)
Show SMILES CC1(C)CNc2cc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2O1 |r|
PDB

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n/an/a 0.550n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555249
PNG
(USRE49080, Example 17)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3NCCc3c2)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555270
PNG
(USRE49080, Example 66)
Show SMILES CCc1ccc(cc1Cc1ccc2OCCNc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
PDB

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antibodypedia
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM364370
PNG
(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-16-4-2-5-17(24)19(16)21(27)15-11-26(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(28)29/h1-11H,(H,28,29)
PDB

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n/an/a 1n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512498
PNG
(CHEMBL4570491)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-15-5-3-6-16(24)20(15)21(27)14-11-26(18-7-2-1-4-13(14)18)19-9-8-12(22(28)29)10-17(19)25/h1-11H,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.10n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555271
PNG
(USRE49080, Example 69)
Show SMILES CC(C)c1ccc(cc1Cc1ccc2OCCNc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555257
PNG
(USRE49080, Example 31)
Show SMILES COc1ccc(cc1Cc1ccc2OCCNc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555253
PNG
(USRE49080, Example 24)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(Cc2ccc3OCCNc3c2)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555245
PNG
(USRE49080, Example 11)
Show SMILES CN1CCOc2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12 |r|
PDB

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antibodypedia
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555254
PNG
(USRE49080, Example 25)
Show SMILES COc1ccc(cc1Cc1ccc2OCCOc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555272
PNG
(USRE49080, Example 71)
Show SMILES CC(C)c1ccc(cc1Cc1ccc2CCCNc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512490
PNG
(CHEMBL4454027)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H13Cl2NO3/c23-17-5-3-6-18(24)20(17)21(26)16-12-25(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(27)28/h1-12H,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
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Article
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n/an/a 1.60n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512497
PNG
(CHEMBL4567440)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H12ClF4NO3/c24-17-5-2-4-16(23(26,27)28)19(17)21(30)15-11-29(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(31)32/h1-11H,(H,31,32)
PDB

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antibodypedia
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n/an/a 2n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50203542
PNG
(CHEMBL3218921)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)25-17-7-2-1-4-14(17)19(24-25)12-8-10-13(11-9-12)21(27)28/h1-11H,(H,27,28)
PDB

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CHEMBL
PC cid
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555267
PNG
(USRE49080, Example 60)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C2CC2)c(Cc2ccc3OCCOc3c2)c1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555269
PNG
(USRE49080, Example 65)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C2CC2)c(Cc2ccc3OCCNc3c2)c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555238
PNG
(USRE49080, Example 1)
Show SMILES CN1CCOc2cc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 |r|
PDB

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antibodypedia
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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512504
PNG
(CHEMBL4540580)
Show SMILES OC(=O)c1ccc(cc1)-n1nc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)19-14-4-1-2-7-17(14)25(24-19)13-10-8-12(9-11-13)21(27)28/h1-11H,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 3.80n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555264
PNG
(USRE49080, Example 43)
Show SMILES COc1ccc(cc1Cc1ccc2NC(=O)COc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM364371
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-1 H-ind...)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H11Cl2F2NO3/c23-14-4-2-5-15(24)19(14)21(28)13-10-27(20-12(13)3-1-6-16(20)25)18-8-7-11(22(29)30)9-17(18)26/h1-10H,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512525
PNG
(CHEMBL4454020)
Show SMILES OC(=O)c1ccc(cc1O)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C22H13Cl2NO4/c23-16-5-3-6-17(24)20(16)21(27)15-11-25(18-7-2-1-4-13(15)18)12-8-9-14(22(28)29)19(26)10-12/h1-11,26H,(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555246
PNG
(USRE49080, Example 14)
Show SMILES COc1ccc(CN2CCCc3cc(Cc4cc(ccc4Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc23)cc1 |r|
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Succinate receptor 1


(Homo sapiens (Human))
BDBM50393129
PNG
(CHEMBL2153461)
Show SMILES C[C@H](NC(=O)Cc1ccc(cc1)-c1ccc2cccnc2n1)c1ccc(cc1)-c1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C31H23F4N3O/c1-19(21-8-10-22(11-9-21)25-12-14-27(32)26(18-25)31(33,34)35)37-29(39)17-20-4-6-23(7-5-20)28-15-13-24-3-2-16-36-30(24)38-28/h2-16,18-19H,17H2,1H3,(H,37,39)/t19-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-ind...


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair
Succinate receptor 1


(Rattus norvegicus)
BDBM50393161
PNG
(CHEMBL2153439)
Show SMILES Cc1cccc(c1)-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)cc1
Show InChI InChI=1S/C26H25N3O/c1-19-5-2-6-23(17-19)21-12-10-20(11-13-21)18-28-25(30)9-3-8-24-15-14-22-7-4-16-27-26(22)29-24/h2,4-7,10-17H,3,8-9,18H2,1H3,(H,28,30)
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n/an/a 7n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-induc...


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555243
PNG
(USRE49080, Example 9)
Show SMILES CCN1CCOc2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12 |r|
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n/an/a 7.20n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512506
PNG
(CHEMBL4551954)
Show SMILES Cc1cccc2c(cn(-c3ccc(cc3F)C(O)=O)c12)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C23H15ClFNO3/c1-13-5-4-7-15-17(22(27)16-6-2-3-8-18(16)24)12-26(21(13)15)20-10-9-14(23(28)29)11-19(20)25/h2-12H,1H3,(H,28,29)
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n/an/a 8.10n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))
BDBM555267
PNG
(USRE49080, Example 60)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C2CC2)c(Cc2ccc3OCCOc3c2)c1
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555259
PNG
(USRE49080, Example 35)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3OCCC(=O)c3c2)c1
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n/an/a 9.5n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512497
PNG
(CHEMBL4567440)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H12ClF4NO3/c24-17-5-2-4-16(23(26,27)28)19(17)21(30)15-11-29(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(31)32/h1-11H,(H,31,32)
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n/an/a 10n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512510
PNG
(CHEMBL4561072)
Show SMILES OC(=O)c1cc(F)c(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12 |(10.56,-42.93,;9.05,-43.26,;8.01,-42.12,;8.59,-44.73,;9.62,-45.87,;9.16,-47.33,;10.19,-48.47,;7.65,-47.65,;6.62,-46.53,;5.11,-46.86,;7.08,-45.06,;7.18,-49.12,;8.1,-50.36,;7.2,-51.62,;7.68,-53.08,;6.66,-54.23,;9.19,-53.39,;10.2,-52.24,;9.71,-50.78,;11.7,-52.54,;12.2,-54.01,;11.17,-55.16,;9.66,-54.85,;8.64,-56,;5.73,-51.15,;4.39,-51.93,;3.05,-51.16,;3.05,-49.61,;4.38,-48.84,;5.72,-49.61,)|
Show InChI InChI=1S/C22H11Cl2F2NO3/c23-14-5-3-6-15(24)19(14)21(28)13-10-27(18-7-2-1-4-12(13)18)20-16(25)8-11(22(29)30)9-17(20)26/h1-10H,(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555258
PNG
(USRE49080, Example 33)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(OC(F)(F)F)c(Cc2ccc3OCCCc3c2)c1 |r|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM364371
PNG
(4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-1 H-ind...)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H11Cl2F2NO3/c23-14-4-2-5-15(24)19(14)21(28)13-10-27(20-12(13)3-1-6-16(20)25)18-8-7-11(22(29)30)9-17(18)26/h1-10H,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512495
PNG
(CHEMBL4466120)
Show SMILES Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2c(F)cccc12
Show InChI InChI=1S/C23H15ClFNO3/c1-13-4-2-6-18(24)20(13)22(27)17-12-26(21-16(17)5-3-7-19(21)25)15-10-8-14(9-11-15)23(28)29/h2-12H,1H3,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Succinate receptor 1


(Homo sapiens (Human))
BDBM50393123
PNG
(CHEMBL2153446)
Show SMILES C[C@H](NC(=O)CCCc1ccc2cccnc2n1)c1ccc(cc1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H24ClN3O/c1-18(19-10-12-20(13-11-19)22-5-2-7-23(27)17-22)29-25(31)9-3-8-24-15-14-21-6-4-16-28-26(21)30-24/h2,4-7,10-18H,3,8-9H2,1H3,(H,29,31)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-ind...


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555239
PNG
(USRE49080, Example 2)
Show SMILES CCN1CCOc2cc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 |r|
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n/an/a 11.1n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM364370
PNG
(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
Show InChI InChI=1S/C22H12Cl2FNO3/c23-16-4-2-5-17(24)19(16)21(27)15-11-26(20-14(15)3-1-6-18(20)25)13-9-7-12(8-10-13)22(28)29/h1-11H,(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Succinate receptor 1


(Homo sapiens (Human))
BDBM50393133
PNG
(CHEMBL2153465)
Show SMILES C[C@H](NC(=O)C(C)(C)c1ccc(cc1)-c1ccc2cccnc2n1)c1ccc(cc1)-c1ccc(F)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C33H27F4N3O/c1-20(21-6-8-22(9-7-21)25-12-16-28(34)27(19-25)33(35,36)37)39-31(41)32(2,3)26-14-10-23(11-15-26)29-17-13-24-5-4-18-38-30(24)40-29/h4-20H,1-3H3,(H,39,41)/t20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-ind...


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555265
PNG
(USRE49080, Example 46)
Show SMILES CC1(C)Oc2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2NC1=O
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM555261
PNG
(USRE49080, Example 38)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc3OC4(CCCC4)CC(=O)c3c2)c1 |r|
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n/an/a 14.4n/an/an/an/an/an/a


TBA

Assay Description
The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20868J4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512491
PNG
(CHEMBL4556521)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
Succinate receptor 1


(Homo sapiens (Human))
BDBM50393122
PNG
(CHEMBL2153445)
Show SMILES CC(NC(=O)CCCc1ccc2cccnc2n1)c1ccc(cc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H24F3N3O/c1-18(19-10-12-20(13-11-19)22-5-2-7-23(17-22)27(28,29)30)32-25(34)9-3-8-24-15-14-21-6-4-16-31-26(21)33-24/h2,4-7,10-18H,3,8-9H2,1H3,(H,32,34)
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n/an/a 16n/an/an/an/an/an/a



Advinus Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-ind...


Bioorg Med Chem Lett 21: 3596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.091
BindingDB Entry DOI: 10.7270/Q2BK1DG6
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50512502
PNG
(CHEMBL4577409)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2c(F)cccc12
Show InChI InChI=1S/C23H11ClF5NO3/c24-14-4-1-3-13(23(27,28)29)20(14)21(31)12-10-30(18-6-2-5-15(25)19(12)18)17-8-7-11(22(32)33)9-16(17)26/h1-10H,(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Advinus Therapeutics Limited

Curated by ChEMBL


Assay Description
Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...


Bioorg Med Chem Lett 29: 2208-2217 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.044
BindingDB Entry DOI: 10.7270/Q2D50R96
More data for this
Ligand-Target Pair
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