Found 94 hits of Enzyme Inhibition Constant Data 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)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412612
(CHEMBL518451)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C23H20Cl3F4N5O3/c1-2-34(21(37)18-16(25)7-12(24)8-17(18)26)11-22(38,23(28,29)30)10-32-20(36)15-9-33-35(19(15)31)14-5-3-13(27)4-6-14/h3-9,38H,2,10-11,31H2,1H3,(H,32,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412614
(CHEMBL465919)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C25H24F4N6O3/c1-2-34(23(37)16-3-8-20-15(11-16)9-10-31-20)14-24(38,25(27,28)29)13-32-22(36)19-12-33-35(21(19)30)18-6-4-17(26)5-7-18/h3-12,31,38H,2,13-14,30H2,1H3,(H,32,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254513
(5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C23H21F6N5O3/c1-2-33(21(36)18-16(25)4-3-5-17(18)26)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(24)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412609
(CHEMBL520750)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccc(F)c1Cl Show InChI InChI=1S/C23H21ClF5N5O3/c1-2-33(21(36)15-4-3-5-17(26)18(15)24)12-22(37,23(27,28)29)11-31-20(35)16-10-32-34(19(16)30)14-8-6-13(25)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412606
(CHEMBL462282)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C23H22F5N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)25)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(24)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412616
(CHEMBL465927)Show SMILES CCCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C24H23F6N5O3/c1-2-10-34(22(37)19-17(26)4-3-5-18(19)27)13-23(38,24(28,29)30)12-32-21(36)16-11-33-35(20(16)31)15-8-6-14(25)7-9-15/h3-9,11,38H,2,10,12-13,31H2,1H3,(H,32,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254760
(5-amino-N-(2-((2,6-difluoro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H21F6N5O4/c24-13-4-6-14(7-5-13)34-19(30)15(10-32-34)20(36)31-11-22(38,23(27,28)29)12-33(8-9-35)21(37)18-16(25)2-1-3-17(18)26/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412608
(CHEMBL519947)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)14-4-3-5-15(24)10-14)13-22(36,23(26,27)28)12-30-20(34)18-11-31-33(19(18)29)17-8-6-16(25)7-9-17/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254759
((+/-)-5-amino-N-(2-((2,6-difluoro-N-(2-fluoroethyl...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H20F7N5O3/c24-8-9-34(21(37)18-16(26)2-1-3-17(18)27)12-22(38,23(28,29)30)11-32-20(36)15-10-33-35(19(15)31)14-6-4-13(25)5-7-14/h1-7,10,38H,8-9,11-12,31H2,(H,32,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412611
(CHEMBL479431)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccc(F)cc1Cl Show InChI InChI=1S/C23H21ClF5N5O3/c1-2-33(21(36)16-8-5-14(26)9-18(16)24)12-22(37,23(27,28)29)11-31-20(35)17-10-32-34(19(17)30)15-6-3-13(25)4-7-15/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412613
(CHEMBL481784)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccnc1Cl Show InChI InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)15-4-3-9-29-17(15)23)12-21(36,22(25,26)27)11-30-19(34)16-10-31-33(18(16)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412605
(CHEMBL481185)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C23H23F4N5O3/c1-2-31(21(34)15-6-4-3-5-7-15)14-22(35,23(25,26)27)13-29-20(33)18-12-30-32(19(18)28)17-10-8-16(24)9-11-17/h3-12,35H,2,13-14,28H2,1H3,(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412605
(CHEMBL481185)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C23H23F4N5O3/c1-2-31(21(34)15-6-4-3-5-7-15)14-22(35,23(25,26)27)13-29-20(33)18-12-30-32(19(18)28)17-10-8-16(24)9-11-17/h3-12,35H,2,13-14,28H2,1H3,(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412607
(CHEMBL516033)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1S(C)(=O)=O Show InChI InChI=1S/C24H24F5N5O5S/c1-3-33(22(36)19-17(26)5-4-6-18(19)40(2,38)39)13-23(37,24(27,28)29)12-31-21(35)16-11-32-34(20(16)30)15-9-7-14(25)8-10-15/h4-11,37H,3,12-13,30H2,1-2H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254465
((+/-)-5-amino-N-(2-((N-ethyl-2-(methylsulfonyl)ben...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C24H25F4N5O5S/c1-3-32(22(35)17-6-4-5-7-19(17)39(2,37)38)14-23(36,24(26,27)28)13-30-21(34)18-12-31-33(20(18)29)16-10-8-15(25)9-11-16/h4-12,36H,3,13-14,29H2,1-2H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254723
((+/-)-5-amino-N-(2-((2,6-difluoro-N-methylbenzamid...)Show SMILES CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C22H19F6N5O3/c1-32(20(35)17-15(24)3-2-4-16(17)25)11-21(36,22(26,27)28)10-30-19(34)14-9-31-33(18(14)29)13-7-5-12(23)6-8-13/h2-9,36H,10-11,29H2,1H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412605
(CHEMBL481185)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C23H23F4N5O3/c1-2-31(21(34)15-6-4-3-5-7-15)14-22(35,23(25,26)27)13-29-20(33)18-12-30-32(19(18)28)17-10-8-16(24)9-11-17/h3-12,35H,2,13-14,28H2,1H3,(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412610
(CHEMBL480800)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)14-3-5-15(24)6-4-14)13-22(36,23(26,27)28)12-30-20(34)18-11-31-33(19(18)29)17-9-7-16(25)8-10-17/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412615
(CHEMBL465920)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CNC(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C21H17F6N5O3/c22-11-4-6-12(7-5-11)32-17(28)13(8-31-32)18(33)29-9-20(35,21(25,26)27)10-30-19(34)16-14(23)2-1-3-15(16)24/h1-8,35H,9-10,28H2,(H,29,33)(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254759
((+/-)-5-amino-N-(2-((2,6-difluoro-N-(2-fluoroethyl...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H20F7N5O3/c24-8-9-34(21(37)18-16(26)2-1-3-17(18)27)12-22(38,23(28,29)30)11-32-20(36)15-10-33-35(19(15)31)14-6-4-13(25)5-7-14/h1-7,10,38H,8-9,11-12,31H2,(H,32,36) | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254513
(5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C23H21F6N5O3/c1-2-33(21(36)18-16(25)4-3-5-17(18)26)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(24)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254761
(5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254465
((+/-)-5-amino-N-(2-((N-ethyl-2-(methylsulfonyl)ben...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C24H25F4N5O5S/c1-3-32(22(35)17-6-4-5-7-19(17)39(2,37)38)14-23(36,24(26,27)28)13-30-21(34)18-12-31-33(20(18)29)16-10-8-15(25)9-11-16/h4-12,36H,3,13-14,29H2,1-2H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254759
((+/-)-5-amino-N-(2-((2,6-difluoro-N-(2-fluoroethyl...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H20F7N5O3/c24-8-9-34(21(37)18-16(26)2-1-3-17(18)27)12-22(38,23(28,29)30)11-32-20(36)15-10-33-35(19(15)31)14-6-4-13(25)5-7-14/h1-7,10,38H,8-9,11-12,31H2,(H,32,36) | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254679
((+/-)-N-(2-((5-amino-1-(4-fluorophenyl)-1H-pyrazol...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ncccc1Cl Show InChI InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)17-16(23)4-3-9-29-17)12-21(36,22(25,26)27)11-30-19(34)15-10-31-33(18(15)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254513
(5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C23H21F6N5O3/c1-2-33(21(36)18-16(25)4-3-5-17(18)26)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(24)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254759
((+/-)-5-amino-N-(2-((2,6-difluoro-N-(2-fluoroethyl...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H20F7N5O3/c24-8-9-34(21(37)18-16(26)2-1-3-17(18)27)12-22(38,23(28,29)30)11-32-20(36)15-10-33-35(19(15)31)14-6-4-13(25)5-7-14/h1-7,10,38H,8-9,11-12,31H2,(H,32,36) | 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 | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254723
((+/-)-5-amino-N-(2-((2,6-difluoro-N-methylbenzamid...)Show SMILES CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C22H19F6N5O3/c1-32(20(35)17-15(24)3-2-4-16(17)25)11-21(36,22(26,27)28)10-30-19(34)14-9-31-33(18(14)29)13-7-5-12(23)6-8-13/h2-9,36H,10-11,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254760
(5-amino-N-(2-((2,6-difluoro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H21F6N5O4/c24-13-4-6-14(7-5-13)34-19(30)15(10-32-34)20(36)31-11-22(38,23(27,28)29)12-33(8-9-35)21(37)18-16(25)2-1-3-17(18)26/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | 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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254679
((+/-)-N-(2-((5-amino-1-(4-fluorophenyl)-1H-pyrazol...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ncccc1Cl Show InChI InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)17-16(23)4-3-9-29-17)12-21(36,22(25,26)27)11-30-19(34)15-10-31-33(18(15)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254513
(5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C23H21F6N5O3/c1-2-33(21(36)18-16(25)4-3-5-17(18)26)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(24)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254761
(5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | 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 | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254759
((+/-)-5-amino-N-(2-((2,6-difluoro-N-(2-fluoroethyl...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H20F7N5O3/c24-8-9-34(21(37)18-16(26)2-1-3-17(18)27)12-22(38,23(28,29)30)11-32-20(36)15-10-33-35(19(15)31)14-6-4-13(25)5-7-14/h1-7,10,38H,8-9,11-12,31H2,(H,32,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254465
((+/-)-5-amino-N-(2-((N-ethyl-2-(methylsulfonyl)ben...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C24H25F4N5O5S/c1-3-32(22(35)17-6-4-5-7-19(17)39(2,37)38)14-23(36,24(26,27)28)13-30-21(34)18-12-31-33(20(18)29)16-10-8-15(25)9-11-16/h4-12,36H,3,13-14,29H2,1-2H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254723
((+/-)-5-amino-N-(2-((2,6-difluoro-N-methylbenzamid...)Show SMILES CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C22H19F6N5O3/c1-32(20(35)17-15(24)3-2-4-16(17)25)11-21(36,22(26,27)28)10-30-19(34)14-9-31-33(18(14)29)13-7-5-12(23)6-8-13/h2-9,36H,10-11,29H2,1H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254760
(5-amino-N-(2-((2,6-difluoro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H21F6N5O4/c24-13-4-6-14(7-5-13)34-19(30)15(10-32-34)20(36)31-11-22(38,23(27,28)29)12-33(8-9-35)21(37)18-16(25)2-1-3-17(18)26/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | 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 | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254465
((+/-)-5-amino-N-(2-((N-ethyl-2-(methylsulfonyl)ben...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C24H25F4N5O5S/c1-3-32(22(35)17-6-4-5-7-19(17)39(2,37)38)14-23(36,24(26,27)28)13-30-21(34)18-12-31-33(20(18)29)16-10-8-15(25)9-11-16/h4-12,36H,3,13-14,29H2,1-2H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254723
((+/-)-5-amino-N-(2-((2,6-difluoro-N-methylbenzamid...)Show SMILES CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C22H19F6N5O3/c1-32(20(35)17-15(24)3-2-4-16(17)25)11-21(36,22(26,27)28)10-30-19(34)14-9-31-33(18(14)29)13-7-5-12(23)6-8-13/h2-9,36H,10-11,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254761
(5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254513
(5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C23H21F6N5O3/c1-2-33(21(36)18-16(25)4-3-5-17(18)26)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(24)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254760
(5-amino-N-(2-((2,6-difluoro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H21F6N5O4/c24-13-4-6-14(7-5-13)34-19(30)15(10-32-34)20(36)31-11-22(38,23(27,28)29)12-33(8-9-35)21(37)18-16(25)2-1-3-17(18)26/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | 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 | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254465
((+/-)-5-amino-N-(2-((N-ethyl-2-(methylsulfonyl)ben...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C24H25F4N5O5S/c1-3-32(22(35)17-6-4-5-7-19(17)39(2,37)38)14-23(36,24(26,27)28)13-30-21(34)18-12-31-33(20(18)29)16-10-8-15(25)9-11-16/h4-12,36H,3,13-14,29H2,1-2H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254465
((+/-)-5-amino-N-(2-((N-ethyl-2-(methylsulfonyl)ben...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C24H25F4N5O5S/c1-3-32(22(35)17-6-4-5-7-19(17)39(2,37)38)14-23(36,24(26,27)28)13-30-21(34)18-12-31-33(20(18)29)16-10-8-15(25)9-11-16/h4-12,36H,3,13-14,29H2,1-2H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254679
((+/-)-N-(2-((5-amino-1-(4-fluorophenyl)-1H-pyrazol...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ncccc1Cl Show InChI InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)17-16(23)4-3-9-29-17)12-21(36,22(25,26)27)11-30-19(34)15-10-31-33(18(15)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254513
(5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C23H21F6N5O3/c1-2-33(21(36)18-16(25)4-3-5-17(18)26)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(24)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254759
((+/-)-5-amino-N-(2-((2,6-difluoro-N-(2-fluoroethyl...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H20F7N5O3/c24-8-9-34(21(37)18-16(26)2-1-3-17(18)27)12-22(38,23(28,29)30)11-32-20(36)15-10-33-35(19(15)31)14-6-4-13(25)5-7-14/h1-7,10,38H,8-9,11-12,31H2,(H,32,36) | 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 | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254679
((+/-)-N-(2-((5-amino-1-(4-fluorophenyl)-1H-pyrazol...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ncccc1Cl Show InChI InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)17-16(23)4-3-9-29-17)12-21(36,22(25,26)27)11-30-19(34)15-10-31-33(18(15)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254723
((+/-)-5-amino-N-(2-((2,6-difluoro-N-methylbenzamid...)Show SMILES CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C22H19F6N5O3/c1-32(20(35)17-15(24)3-2-4-16(17)25)11-21(36,22(26,27)28)10-30-19(34)14-9-31-33(18(14)29)13-7-5-12(23)6-8-13/h2-9,36H,10-11,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254761
(5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | 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 | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254723
((+/-)-5-amino-N-(2-((2,6-difluoro-N-methylbenzamid...)Show SMILES CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C22H19F6N5O3/c1-32(20(35)17-15(24)3-2-4-16(17)25)11-21(36,22(26,27)28)10-30-19(34)14-9-31-33(18(14)29)13-7-5-12(23)6-8-13/h2-9,36H,10-11,29H2,1H3,(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254760
(5-amino-N-(2-((2,6-difluoro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H21F6N5O4/c24-13-4-6-14(7-5-13)34-19(30)15(10-32-34)20(36)31-11-22(38,23(27,28)29)12-33(8-9-35)21(37)18-16(25)2-1-3-17(18)26/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | 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 | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254761
(5-amino-N-(2-((2,6-dichloro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F4N5O4/c24-16-2-1-3-17(25)18(16)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)15-10-32-34(19(15)30)14-6-4-13(26)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | 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 | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254679
((+/-)-N-(2-((5-amino-1-(4-fluorophenyl)-1H-pyrazol...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ncccc1Cl Show InChI InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)17-16(23)4-3-9-29-17)12-21(36,22(25,26)27)11-30-19(34)15-10-31-33(18(15)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254760
(5-amino-N-(2-((2,6-difluoro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H21F6N5O4/c24-13-4-6-14(7-5-13)34-19(30)15(10-32-34)20(36)31-11-22(38,23(27,28)29)12-33(8-9-35)21(37)18-16(25)2-1-3-17(18)26/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254723
((+/-)-5-amino-N-(2-((2,6-difluoro-N-methylbenzamid...)Show SMILES CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C22H19F6N5O3/c1-32(20(35)17-15(24)3-2-4-16(17)25)11-21(36,22(26,27)28)10-30-19(34)14-9-31-33(18(14)29)13-7-5-12(23)6-8-13/h2-9,36H,10-11,29H2,1H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412616
(CHEMBL465927)Show SMILES CCCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C24H23F6N5O3/c1-2-10-34(22(37)19-17(26)4-3-5-18(19)27)13-23(38,24(28,29)30)12-32-21(36)16-11-33-35(20(16)31)15-8-6-14(25)7-9-15/h3-9,11,38H,2,10,12-13,31H2,1H3,(H,32,36) | 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 | 25.1 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412613
(CHEMBL481784)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccnc1Cl Show InChI InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)15-4-3-9-29-17(15)23)12-21(36,22(25,26)27)11-30-19(34)16-10-31-33(18(16)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34) | 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 | 794 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254759
((+/-)-5-amino-N-(2-((2,6-difluoro-N-(2-fluoroethyl...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H20F7N5O3/c24-8-9-34(21(37)18-16(26)2-1-3-17(18)27)12-22(38,23(28,29)30)11-32-20(36)15-10-33-35(19(15)31)14-6-4-13(25)5-7-14/h1-7,10,38H,8-9,11-12,31H2,(H,32,36) | 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 | 50.1 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412607
(CHEMBL516033)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1S(C)(=O)=O Show InChI InChI=1S/C24H24F5N5O5S/c1-3-33(22(36)19-17(26)5-4-6-18(19)40(2,38)39)13-23(37,24(27,28)29)12-31-21(35)16-11-32-34(20(16)30)15-9-7-14(25)8-10-15/h4-11,37H,3,12-13,30H2,1-2H3,(H,31,35) | 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 | 25.1 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412605
(CHEMBL481185)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C23H23F4N5O3/c1-2-31(21(34)15-6-4-3-5-7-15)14-22(35,23(25,26)27)13-29-20(33)18-12-30-32(19(18)28)17-10-8-16(24)9-11-17/h3-12,35H,2,13-14,28H2,1H3,(H,29,33) | 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 | 50.1 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254513
(5-amino-N-(2-((N-ethyl-2,6-difluorobenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C23H21F6N5O3/c1-2-33(21(36)18-16(25)4-3-5-17(18)26)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(24)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.94 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412614
(CHEMBL465919)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C25H24F4N6O3/c1-2-34(23(37)16-3-8-20-15(11-16)9-10-31-20)14-24(38,25(27,28)29)13-32-22(36)19-12-33-35(21(19)30)18-6-4-17(26)5-7-18/h3-12,31,38H,2,13-14,30H2,1H3,(H,32,36) | 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 | 3.16 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 50.1 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.31 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254679
((+/-)-N-(2-((5-amino-1-(4-fluorophenyl)-1H-pyrazol...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ncccc1Cl Show InChI InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)17-16(23)4-3-9-29-17)12-21(36,22(25,26)27)11-30-19(34)15-10-31-33(18(15)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 39.8 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254464
((+/-)-5-amino-N-(2-((2-chloro-N-ethylbenzamido)met...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)24)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(25)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.31 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412605
(CHEMBL481185)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C23H23F4N5O3/c1-2-31(21(34)15-6-4-3-5-7-15)14-22(35,23(25,26)27)13-29-20(33)18-12-30-32(19(18)28)17-10-8-16(24)9-11-17/h3-12,35H,2,13-14,28H2,1H3,(H,29,33) | 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 | >6.31E+3 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412605
(CHEMBL481185)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C23H23F4N5O3/c1-2-31(21(34)15-6-4-3-5-7-15)14-22(35,23(25,26)27)13-29-20(33)18-12-30-32(19(18)28)17-10-8-16(24)9-11-17/h3-12,35H,2,13-14,28H2,1H3,(H,29,33) | 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 | 50.1 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254465
((+/-)-5-amino-N-(2-((N-ethyl-2-(methylsulfonyl)ben...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C24H25F4N5O5S/c1-3-32(22(35)17-6-4-5-7-19(17)39(2,37)38)14-23(36,24(26,27)28)13-30-21(34)18-12-31-33(20(18)29)16-10-8-15(25)9-11-16/h4-12,36H,3,13-14,29H2,1-2H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 158 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412609
(CHEMBL520750)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccc(F)c1Cl Show InChI InChI=1S/C23H21ClF5N5O3/c1-2-33(21(36)15-4-3-5-17(26)18(15)24)12-22(37,23(27,28)29)11-31-20(35)16-10-32-34(19(16)30)14-8-6-13(25)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | 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 | 50.1 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412611
(CHEMBL479431)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccc(F)cc1Cl Show InChI InChI=1S/C23H21ClF5N5O3/c1-2-33(21(36)16-8-5-14(26)9-18(16)24)12-22(37,23(27,28)29)11-31-20(35)17-10-32-34(19(17)30)15-6-3-13(25)4-7-15/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | 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 | 316 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412606
(CHEMBL462282)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C23H22F5N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)25)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(24)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | 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 | 19.9 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254466
(5-amino-N-(2-((2,6-dichloro-N-ethylbenzamido)methy...)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412608
(CHEMBL519947)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)14-4-3-5-15(24)10-14)13-22(36,23(26,27)28)12-30-20(34)18-11-31-33(19(18)29)17-8-6-16(25)7-9-17/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | 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 | 251 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412612
(CHEMBL518451)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C23H20Cl3F4N5O3/c1-2-34(21(37)18-16(25)7-12(24)8-17(18)26)11-22(38,23(28,29)30)10-32-20(36)15-9-33-35(19(15)31)14-5-3-13(27)4-6-14/h3-9,38H,2,10-11,31H2,1H3,(H,32,36) | 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 | 50.1 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412615
(CHEMBL465920)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CNC(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C21H17F6N5O3/c22-11-4-6-12(7-5-11)32-17(28)13(8-31-32)18(33)29-9-20(35,21(25,26)27)10-30-19(34)16-14(23)2-1-3-15(16)24/h1-8,35H,9-10,28H2,(H,29,33)(H,30,34) | 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 | >6.31E+3 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50254760
(5-amino-N-(2-((2,6-difluoro-N-(2-hydroxyethyl)benz...)Show SMILES Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F Show InChI InChI=1S/C23H21F6N5O4/c24-13-4-6-14(7-5-13)34-19(30)15(10-32-34)20(36)31-11-22(38,23(27,28)29)12-33(8-9-35)21(37)18-16(25)2-1-3-17(18)26/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36) | 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 | 50.1 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50412610
(CHEMBL480800)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)14-3-5-15(24)6-4-14)13-22(36,23(26,27)28)12-30-20(34)18-11-31-33(19(18)29)17-9-7-16(25)8-10-17/h3-11,36H,2,12-13,29H2,1H3,(H,30,34) | 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 | >6.31E+3 | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 158-62 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.128
BindingDB Entry DOI: 10.7270/Q2XS5V79 |
More data for this
Ligand-Target Pair | |
Search and Browse
