Found 310 hits with Last Name = 'bengtsson' and Initial = 'm' 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 |
|---|
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466897
(CHEMBL4287715)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C27H29N5O2/c1-31-17-23(19-9-12-32(13-10-19)27(34)20-4-2-3-5-20)22-15-21(6-7-25(22)31)30-26(33)24-14-18(16-28)8-11-29-24/h6-8,11,14-15,17,19-20H,2-5,9-10,12-13H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466891
(CHEMBL4281109)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466893
(CHEMBL4291727)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cccc(c3)C#N)ccc12 Show InChI InChI=1S/C28H30N4O2/c1-31-18-25(20-11-13-32(14-12-20)28(34)21-6-2-3-7-21)24-16-23(9-10-26(24)31)30-27(33)22-8-4-5-19(15-22)17-29/h4-5,8-10,15-16,18,20-21H,2-3,6-7,11-14H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466892
(CHEMBL4283871)Show SMILES O=C(Nc1ccc2[nH]cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1)c1cccc(c1)C#N Show InChI InChI=1S/C27H28N4O2/c28-16-18-4-3-7-21(14-18)26(32)30-22-8-9-25-23(15-22)24(17-29-25)19-10-12-31(13-11-19)27(33)20-5-1-2-6-20/h3-4,7-9,14-15,17,19-20,29H,1-2,5-6,10-13H2,(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466913
(CHEMBL4289304)Show SMILES CCn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-2-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(RAT) | BDBM50014432
(CHEMBL3261407)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
PDB
UniChem
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Similars
| PDB
Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in rat PBMC assessed as inhibition of LPS-stimulated TNF-alpha release |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | 7.6 | 22 |
Ghent University
| Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot... |
J Med Chem 49: 7357-65 (2006)
Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2M61HJ1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | 7.6 | 22 |
Ghent University
| Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot... |
J Med Chem 49: 7357-65 (2006)
Article DOI: 10.1021/jm060692n
BindingDB Entry DOI: 10.7270/Q2M61HJ1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014432
(CHEMBL3261407)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1 | PDB
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| CHEMBL
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PC sid
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UniChem
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| PDB
Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014546
(CHEMBL3261410)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H28N4O2S/c1-17-13-18(2)25(19(3)14-17)32(30,31)28-20(4)15-26-23-11-8-12-24-22(23)16-27-29(24)21-9-6-5-7-10-21/h5-14,16,20,26,28H,15H2,1-4H3/t20-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014546
(CHEMBL3261410)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H28N4O2S/c1-17-13-18(2)25(19(3)14-17)32(30,31)28-20(4)15-26-23-11-8-12-24-22(23)16-27-29(24)21-9-6-5-7-10-21/h5-14,16,20,26,28H,15H2,1-4H3/t20-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014539
(CHEMBL3261412)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccnc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C24H27N5O2S/c1-16-11-17(2)24(18(3)12-16)32(30,31)28-19(4)13-26-22-8-5-9-23-21(22)15-27-29(23)20-7-6-10-25-14-20/h5-12,14-15,19,26,28H,13H2,1-4H3/t19-/m0/s1 | PDB
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014444
(CHEMBL3261416)Show SMILES CC(C)[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C27H31FN4O2S/c1-17(2)25(31-35(33,34)27-19(4)13-18(3)14-20(27)5)16-29-24-7-6-8-26-23(24)15-30-32(26)22-11-9-21(28)10-12-22/h6-15,17,25,29,31H,16H2,1-5H3/t25-/m1/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014440
(CHEMBL3261408)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C24H26FN5O2S/c1-15-10-16(2)24(17(3)11-15)33(31,32)29-18(4)12-26-21-6-5-7-22-20(21)14-28-30(22)19-8-9-23(25)27-13-19/h5-11,13-14,18,26,29H,12H2,1-4H3/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014440
(CHEMBL3261408)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C24H26FN5O2S/c1-15-10-16(2)24(17(3)11-15)33(31,32)29-18(4)12-26-21-6-5-7-22-20(21)14-28-30(22)19-8-9-23(25)27-13-19/h5-11,13-14,18,26,29H,12H2,1-4H3/t18-/m0/s1 | PDB
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UniChem
Similars
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PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414981
(CHEMBL567417)Show SMILES CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C29H40N4O2/c1-3-10-29(4-2)19-24-22(6-5-7-26(24)35-29)21-32-15-11-28(12-16-32)13-17-33(18-14-28)27(34)25-9-8-23(30)20-31-25/h5-9,20H,3-4,10-19,21,30H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50414959
(CHEMBL409224)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-8-4-5-9-28(27)36-26-7-3-2-6-24(26)22-32-18-14-30(15-19-32)16-20-33(21-17-30)29(34)23-10-12-25(31)13-11-23/h2-13H,14-22H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014539
(CHEMBL3261412)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccnc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C24H27N5O2S/c1-16-11-17(2)24(18(3)12-16)32(30,31)28-19(4)13-26-22-8-5-9-23-21(22)15-27-29(23)20-7-6-10-25-14-20/h5-12,14-15,19,26,28H,13H2,1-4H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414974
(CHEMBL568523)Show SMILES CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccc(N)cn3)c2O1 Show InChI InChI=1S/C26H34N4O2/c1-25(2)16-19-4-3-5-20(23(19)32-25)18-29-12-8-26(9-13-29)10-14-30(15-11-26)24(31)22-7-6-21(27)17-28-22/h3-7,17H,8-16,18,27H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414982
(CHEMBL579072)Show SMILES CC1(C)Oc2c(cccc2CN2CCC3(CC2)CCN(CC3)C(=O)c2ccc(N)cn2)C1(F)F Show InChI InChI=1S/C26H32F2N4O2/c1-24(2)26(27,28)20-5-3-4-18(22(20)34-24)17-31-12-8-25(9-13-31)10-14-32(15-11-25)23(33)21-7-6-19(29)16-30-21/h3-7,16H,8-15,17,29H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414980
(CHEMBL568294)Show SMILES CC(C)(C)C1(C)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C29H40N4O2/c1-27(2,3)28(4)18-23-21(6-5-7-25(23)35-28)20-32-14-10-29(11-15-32)12-16-33(17-13-29)26(34)24-9-8-22(30)19-31-24/h5-9,19H,10-18,20,30H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.82 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014433
(CHEMBL3261425)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r| Show InChI InChI=1S/C25H30FN7O2S/c1-16(31-36(34,35)25-17(2)30-32(18(25)3)19-7-4-5-8-19)13-27-22-9-6-10-23-21(22)15-29-33(23)20-11-12-24(26)28-14-20/h6,9-12,14-16,19,27,31H,4-5,7-8,13H2,1-3H3/t16-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466890
(CHEMBL4290728)Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)ccc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c12 Show InChI InChI=1S/C29H32N4O2/c1-19-25(31-28(34)23-9-5-6-20(16-23)17-30)10-11-26-27(19)24(18-32(26)2)21-12-14-33(15-13-21)29(35)22-7-3-4-8-22/h5-6,9-11,16,18,21-22H,3-4,7-8,12-15H2,1-2H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014545
(CHEMBL3261413)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H27ClN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1 | PDB
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014546
(CHEMBL3261410)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H28N4O2S/c1-17-13-18(2)25(19(3)14-17)32(30,31)28-20(4)15-26-23-11-8-12-24-22(23)16-27-29(24)21-9-6-5-7-10-21/h5-14,16,20,26,28H,15H2,1-4H3/t20-/m0/s1 | PDB
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014545
(CHEMBL3261413)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H27ClN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014431
(CHEMBL3261423)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(COc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C25H23F4N3O3S/c1-15-11-16(2)24(17(3)12-15)36(33,34)31-23(25(27,28)29)14-35-22-6-4-5-21-20(22)13-30-32(21)19-9-7-18(26)8-10-19/h4-13,23,31H,14H2,1-3H3 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014541
(CHEMBL3261409)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C26H30N4O2S/c1-17-8-6-9-22(14-17)30-25-11-7-10-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)12-18(2)13-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1 | PDB
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UniChem
Patents
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| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014543
(CHEMBL3261424)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r| Show InChI InChI=1S/C26H31FN6O2S/c1-17(31-36(34,35)26-18(2)30-32(19(26)3)21-7-4-5-8-21)15-28-24-9-6-10-25-23(24)16-29-33(25)22-13-11-20(27)12-14-22/h6,9-14,16-17,21,28,31H,4-5,7-8,15H2,1-3H3/t17-/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014536
(CHEMBL3261415)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C26H30N4O2S/c1-17-9-11-22(12-10-17)30-25-8-6-7-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)13-18(2)14-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1 | PDB
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antibodypedia
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014442
(CHEMBL3261417)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H27FN4O2S/c1-16-11-17(2)25(18(3)12-16)33(31,32)29-19(4)14-27-23-9-6-10-24-22(23)15-28-30(24)21-8-5-7-20(26)13-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM189877
(US10227346, Example 5 | US10426135, Example 5 | US...)Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F Show InChI InChI=1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014441
(CHEMBL3261414)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C26H29FN4O2S/c1-16-11-18(3)26(19(4)12-16)34(32,33)30-20(5)14-28-24-7-6-8-25-22(24)15-29-31(25)21-9-10-23(27)17(2)13-21/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014536
(CHEMBL3261415)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C26H30N4O2S/c1-17-9-11-22(12-10-17)30-25-8-6-7-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)13-18(2)14-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1 | PDB
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(RAT) | BDBM50014433
(CHEMBL3261425)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r| Show InChI InChI=1S/C25H30FN7O2S/c1-16(31-36(34,35)25-17(2)30-32(18(25)3)19-7-4-5-8-19)13-27-22-9-6-10-23-21(22)15-29-33(23)20-11-12-24(26)28-14-20/h6,9-12,14-16,19,27,31H,4-5,7-8,13H2,1-3H3/t16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in rat PBMC assessed as inhibition of LPS-stimulated TNF-alpha release |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014439
(CHEMBL3261420)Show SMILES C[C@@H](CCc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C26H28FN3O2S/c1-17-14-18(2)26(19(3)15-17)33(31,32)29-20(4)8-9-21-6-5-7-25-24(21)16-28-30(25)23-12-10-22(27)11-13-23/h5-7,10-16,20,29H,8-9H2,1-4H3/t20-/m0/s1 | PDB
KEGG
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014434
(CHEMBL3261427)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(cc1)C#N)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r| Show InChI InChI=1S/C27H31N7O2S/c1-18(32-37(35,36)27-19(2)31-33(20(27)3)22-7-4-5-8-22)16-29-25-9-6-10-26-24(25)17-30-34(26)23-13-11-21(15-28)12-14-23/h6,9-14,17-18,22,29,32H,4-5,7-8,16H2,1-3H3/t18-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466912
(CHEMBL4283051)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)cnc12 Show InChI InChI=1S/C26H28N6O2/c1-31-16-22(18-7-10-32(11-8-18)26(34)19-4-2-3-5-19)21-13-20(15-29-24(21)31)30-25(33)23-12-17(14-27)6-9-28-23/h6,9,12-13,15-16,18-19H,2-5,7-8,10-11H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414983
(CHEMBL574655)Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccncn2)c1 Show InChI InChI=1S/C28H32N4O3/c1-34-25-7-2-3-8-26(25)35-23-6-4-5-22(19-23)20-31-15-10-28(11-16-31)12-17-32(18-13-28)27(33)24-9-14-29-21-30-24/h2-9,14,19,21H,10-13,15-18,20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014432
(CHEMBL3261407)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1 | PDB
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antibodypedia
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| CHEMBL
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UniChem
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| PDB
Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466890
(CHEMBL4290728)Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)ccc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c12 Show InChI InChI=1S/C29H32N4O2/c1-19-25(31-28(34)23-9-5-6-20(16-23)17-30)10-11-26-27(19)24(18-32(26)2)21-12-14-33(15-13-21)29(35)22-7-3-4-8-22/h5-6,9-11,16,18,21-22H,3-4,7-8,12-15H2,1-2H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466891
(CHEMBL4281109)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466897
(CHEMBL4287715)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C27H29N5O2/c1-31-17-23(19-9-12-32(13-10-19)27(34)20-4-2-3-5-20)22-15-21(6-7-25(22)31)30-26(33)24-14-18(16-28)8-11-29-24/h6-8,11,14-15,17,19-20H,2-5,9-10,12-13H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014531
(CHEMBL3261406)Show SMILES C[C@@H](COc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C25H26FN3O3S/c1-16-12-17(2)25(18(3)13-16)33(30,31)28-19(4)15-32-24-7-5-6-23-22(24)14-27-29(23)21-10-8-20(26)9-11-21/h5-14,19,28H,15H2,1-4H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014537
(CHEMBL3261411)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cncnc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C23H26N6O2S/c1-15-8-16(2)23(17(3)9-15)32(30,31)28-18(4)10-26-21-6-5-7-22-20(21)13-27-29(22)19-11-24-14-25-12-19/h5-9,11-14,18,26,28H,10H2,1-4H3/t18-/m0/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014538
(CHEMBL3261419)Show SMILES COc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cccc12 |r| Show InChI InChI=1S/C26H30N4O3S/c1-17-13-18(2)26(19(3)14-17)34(31,32)29-20(4)15-27-24-7-6-8-25-23(24)16-28-30(25)21-9-11-22(33-5)12-10-21/h6-14,16,20,27,29H,15H2,1-5H3/t20-/m0/s1 | PDB
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PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466893
(CHEMBL4291727)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cccc(c3)C#N)ccc12 Show InChI InChI=1S/C28H30N4O2/c1-31-18-25(20-11-13-32(14-12-20)28(34)21-6-2-3-7-21)24-16-23(9-10-26(24)31)30-27(33)22-8-4-5-19(15-22)17-29/h4-5,8-10,15-16,18,20-21H,2-3,6-7,11-14H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014539
(CHEMBL3261412)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccnc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r| Show InChI InChI=1S/C24H27N5O2S/c1-16-11-17(2)24(18(3)12-16)32(30,31)28-19(4)13-26-22-8-5-9-23-21(22)15-27-29(23)20-7-6-10-25-14-20/h5-12,14-15,19,26,28H,13H2,1-4H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414986
(CHEMBL568522)Show SMILES CC1(C)Oc2c(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)cccc2C=C1 |c:35| Show InChI InChI=1S/C27H34N4O2/c1-26(2)8-6-20-4-3-5-22(24(20)33-26)19-30-14-9-27(10-15-30)11-16-31(17-12-27)25(32)21-7-13-29-23(28)18-21/h3-8,13,18H,9-12,14-17,19H2,1-2H3,(H2,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.62 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR8 |
J Med Chem 52: 7706-23 (2009)
Article DOI: 10.1021/jm900713y
BindingDB Entry DOI: 10.7270/Q2TH8NZP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50014447
(CHEMBL3261428)Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cncnc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r| Show InChI InChI=1S/C24H30N8O2S/c1-16(30-35(33,34)24-17(2)29-31(18(24)3)19-7-4-5-8-19)11-27-22-9-6-10-23-21(22)14-28-32(23)20-12-25-15-26-13-20/h6,9-10,12-16,19,27,30H,4-5,7-8,11H2,1-3H3/t16-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 2571-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6 |
More data for this
Ligand-Target Pair | |
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