Found 5 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50338729' 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 |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338729
((+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4...)Show SMILES C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(-.28,-33.91,;-.28,-35.45,;1.06,-36.23,;2.39,-35.46,;3.72,-36.23,;3.72,-37.77,;5.06,-35.47,;6.39,-36.24,;6.38,-37.78,;7.71,-38.55,;9.05,-37.78,;9.05,-36.24,;7.72,-35.47,;10.38,-38.56,;11.72,-37.79,;10.38,-40.1,;1.05,-37.77,;2.59,-37.77,;1.04,-39.31,;-.29,-38.54,;-1.62,-37.77,;-2.95,-38.54,;-4.28,-37.77,;-5.62,-38.54,;-4.28,-36.23,;-2.95,-35.46,;-2.96,-33.92,;-1.62,-36.22,;-5.61,-35.46,;-5.61,-33.92,;-6.94,-33.15,;-8.28,-33.92,;-8.27,-35.48,;-9.4,-36.51,;-8.76,-37.9,;-7.24,-37.73,;-6.94,-36.23,)| Show InChI InChI=1S/C29H27F2N3O3/c1-15-23-22(14-21(30)24(25(23)31)20-7-5-6-18-12-13-32-26(18)20)34-29(3,4)27(15)37-28(36)33-19-10-8-17(9-11-19)16(2)35/h5-15,27,32,34H,1-4H3,(H,33,36)/t15-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from GR |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338729
((+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4...)Show SMILES C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(-.28,-33.91,;-.28,-35.45,;1.06,-36.23,;2.39,-35.46,;3.72,-36.23,;3.72,-37.77,;5.06,-35.47,;6.39,-36.24,;6.38,-37.78,;7.71,-38.55,;9.05,-37.78,;9.05,-36.24,;7.72,-35.47,;10.38,-38.56,;11.72,-37.79,;10.38,-40.1,;1.05,-37.77,;2.59,-37.77,;1.04,-39.31,;-.29,-38.54,;-1.62,-37.77,;-2.95,-38.54,;-4.28,-37.77,;-5.62,-38.54,;-4.28,-36.23,;-2.95,-35.46,;-2.96,-33.92,;-1.62,-36.22,;-5.61,-35.46,;-5.61,-33.92,;-6.94,-33.15,;-8.28,-33.92,;-8.27,-35.48,;-9.4,-36.51,;-8.76,-37.9,;-7.24,-37.73,;-6.94,-36.23,)| Show InChI InChI=1S/C29H27F2N3O3/c1-15-23-22(14-21(30)24(25(23)31)20-7-5-6-18-12-13-32-26(18)20)34-29(3,4)27(15)37-28(36)33-19-10-8-17(9-11-19)16(2)35/h5-15,27,32,34H,1-4H3,(H,33,36)/t15-,27+/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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Transrepression activity at GR expressed in IL-1beta- and TNFalpha-stimulated HepG2 cells assessed as inhibition of NFKB- or AP-1 mediated E-selectin... |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338729
((+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4...)Show SMILES C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(-.28,-33.91,;-.28,-35.45,;1.06,-36.23,;2.39,-35.46,;3.72,-36.23,;3.72,-37.77,;5.06,-35.47,;6.39,-36.24,;6.38,-37.78,;7.71,-38.55,;9.05,-37.78,;9.05,-36.24,;7.72,-35.47,;10.38,-38.56,;11.72,-37.79,;10.38,-40.1,;1.05,-37.77,;2.59,-37.77,;1.04,-39.31,;-.29,-38.54,;-1.62,-37.77,;-2.95,-38.54,;-4.28,-37.77,;-5.62,-38.54,;-4.28,-36.23,;-2.95,-35.46,;-2.96,-33.92,;-1.62,-36.22,;-5.61,-35.46,;-5.61,-33.92,;-6.94,-33.15,;-8.28,-33.92,;-8.27,-35.48,;-9.4,-36.51,;-8.76,-37.9,;-7.24,-37.73,;-6.94,-36.23,)| Show InChI InChI=1S/C29H27F2N3O3/c1-15-23-22(14-21(30)24(25(23)31)20-7-5-6-18-12-13-32-26(18)20)34-29(3,4)27(15)37-28(36)33-19-10-8-17(9-11-19)16(2)35/h5-15,27,32,34H,1-4H3,(H,33,36)/t15-,27+/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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Transrepression activity at GR expressed in NHDF cells assessed as IL-1beta-mediated IL-6 transcription by ELISA |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338729
((+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4...)Show SMILES C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(-.28,-33.91,;-.28,-35.45,;1.06,-36.23,;2.39,-35.46,;3.72,-36.23,;3.72,-37.77,;5.06,-35.47,;6.39,-36.24,;6.38,-37.78,;7.71,-38.55,;9.05,-37.78,;9.05,-36.24,;7.72,-35.47,;10.38,-38.56,;11.72,-37.79,;10.38,-40.1,;1.05,-37.77,;2.59,-37.77,;1.04,-39.31,;-.29,-38.54,;-1.62,-37.77,;-2.95,-38.54,;-4.28,-37.77,;-5.62,-38.54,;-4.28,-36.23,;-2.95,-35.46,;-2.96,-33.92,;-1.62,-36.22,;-5.61,-35.46,;-5.61,-33.92,;-6.94,-33.15,;-8.28,-33.92,;-8.27,-35.48,;-9.4,-36.51,;-8.76,-37.9,;-7.24,-37.73,;-6.94,-36.23,)| Show InChI InChI=1S/C29H27F2N3O3/c1-15-23-22(14-21(30)24(25(23)31)20-7-5-6-18-12-13-32-26(18)20)34-29(3,4)27(15)37-28(36)33-19-10-8-17(9-11-19)16(2)35/h5-15,27,32,34H,1-4H3,(H,33,36)/t15-,27+/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 | n/a | n/a | 182 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at GR expressed in rat H4IIEC3 cells assessed as induction of PEPCK transactivation by luciferase reporter gene assay |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338729
((+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4...)Show SMILES C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(-.28,-33.91,;-.28,-35.45,;1.06,-36.23,;2.39,-35.46,;3.72,-36.23,;3.72,-37.77,;5.06,-35.47,;6.39,-36.24,;6.38,-37.78,;7.71,-38.55,;9.05,-37.78,;9.05,-36.24,;7.72,-35.47,;10.38,-38.56,;11.72,-37.79,;10.38,-40.1,;1.05,-37.77,;2.59,-37.77,;1.04,-39.31,;-.29,-38.54,;-1.62,-37.77,;-2.95,-38.54,;-4.28,-37.77,;-5.62,-38.54,;-4.28,-36.23,;-2.95,-35.46,;-2.96,-33.92,;-1.62,-36.22,;-5.61,-35.46,;-5.61,-33.92,;-6.94,-33.15,;-8.28,-33.92,;-8.27,-35.48,;-9.4,-36.51,;-8.76,-37.9,;-7.24,-37.73,;-6.94,-36.23,)| Show InChI InChI=1S/C29H27F2N3O3/c1-15-23-22(14-21(30)24(25(23)31)20-7-5-6-18-12-13-32-26(18)20)34-29(3,4)27(15)37-28(36)33-19-10-8-17(9-11-19)16(2)35/h5-15,27,32,34H,1-4H3,(H,33,36)/t15-,27+/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 | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ... |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |