Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50011180 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)) | BDBM50103246
(10-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H...)Show SMILES COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25| Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-19-14-13-18-23-20(28-4)11-8-12-21(23)29-25(24(18)22(16)19)17-9-6-5-7-10-17/h5-15,25,27H,1-4H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM19190
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
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| Purchase
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MCE
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PC cid
PC sid
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UniChem
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Similars
| DrugBank
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50103249
(10-Methoxy-2,2,4-trimethyl-5-(3-methylsulfanylmeth...)Show SMILES COc1cccc2OC(c3cccc(OCSC)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29| Show InChI InChI=1S/C28H29NO3S/c1-17-15-28(2,3)29-21-13-12-20-25-22(30-4)10-7-11-23(25)32-27(26(20)24(17)21)18-8-6-9-19(14-18)31-16-33-5/h6-15,27,29H,16H2,1-5H3 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50103246
(10-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H...)Show SMILES COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25| Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-19-14-13-18-23-20(28-4)11-8-12-21(23)29-25(24(18)22(16)19)17-9-6-5-7-10-17/h5-15,25,27H,1-4H3 | PDB
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| PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50103246
(10-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H...)Show SMILES COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25| Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-19-14-13-18-23-20(28-4)11-8-12-21(23)29-25(24(18)22(16)19)17-9-6-5-7-10-17/h5-15,25,27H,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50062433
(9-Chloro-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H-6...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C25H22ClNO/c1-15-14-25(2,3)27-20-11-10-18-19-13-17(26)9-12-21(19)28-24(23(18)22(15)20)16-7-5-4-6-8-16/h4-14,24,27H,1-3H3 | PDB
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| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50103247
(10-Methoxy-2,2,4-trimethyl-5-(3-trifluoromethyl-ph...)Show SMILES COc1cccc2OC(c3cccc(c3)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29| Show InChI InChI=1S/C27H24F3NO2/c1-15-14-26(2,3)31-19-12-11-18-23-20(32-4)9-6-10-21(23)33-25(24(18)22(15)19)16-7-5-8-17(13-16)27(28,29)30/h5-14,25,31H,1-4H3 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50103245
(9-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H-...)Show SMILES COc1ccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |t:24| Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-21-12-11-19-20-14-18(28-4)10-13-22(20)29-25(24(19)23(16)21)17-8-6-5-7-9-17/h5-15,25,27H,1-4H3 | PDB
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UniChem
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50103251
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27| Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50103251
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27| Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50103252
(8-Methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H-...)Show SMILES COc1ccc-2c(OC(c3ccccc3)c3c-2ccc2NC(C)(C)C=C(C)c32)c1 |t:26| Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-21-13-12-20-19-11-10-18(28-4)14-22(19)29-25(24(20)23(16)21)17-8-6-5-7-9-17/h5-15,25,27H,1-4H3 | PDB
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UniChem
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| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for glucocorticoid receptor |
J Med Chem 44: 2879-85 (2001)
BindingDB Entry DOI: 10.7270/Q2ZG6RJP |
More data for this
Ligand-Target Pair | |
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