Found 101 hits with Last Name = 'caivano' and Initial = 'm' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50354851
(FLUTICASONE FUROATE | Veramyst)Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF |r,c:12,t:8| Show InChI InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
| DrugBank PDB Article PubMed
| n/a | n/a | 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414604
(CHEMBL551816)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414609
(CHEMBL550730)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414610
(CHEMBL564160)Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C27H25F5N4O2/c1-3-35(25(37)20-6-4-5-7-22(20)29)16-26(38,27(30,31)32)15-33-23-12-17(2)13-24-21(23)14-34-36(24)19-10-8-18(28)9-11-19/h4-14,33,38H,3,15-16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414607
(CHEMBL563812)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl Show InChI InChI=1S/C26H23ClF4N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)27)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(28)11-13-18/h3-14,32,37H,2,15-16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414611
(CHEMBL560797)Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C27H26F4N4O2/c1-3-34(25(36)20-11-7-8-12-22(20)28)17-26(37,27(29,30)31)16-32-23-13-18(2)14-24-21(23)15-33-35(24)19-9-5-4-6-10-19/h4-15,32,37H,3,16-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414605
(CHEMBL556231)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F Show InChI InChI=1S/C26H22F6N4O2/c1-2-35(24(37)23-19(28)5-3-6-20(23)29)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(27)10-12-17/h3-13,33,38H,2,14-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414612
(CHEMBL559115)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C26H24F4N4O2/c1-2-33(24(35)19-11-6-7-12-21(19)27)17-25(36,26(28,29)30)16-31-22-13-8-14-23-20(22)15-32-34(23)18-9-4-3-5-10-18/h3-15,31,36H,2,16-17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414608
(CHEMBL550933)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1C Show InChI InChI=1S/C27H26F4N4O2/c1-3-34(25(36)21-8-5-4-7-18(21)2)17-26(37,27(29,30)31)16-32-23-9-6-10-24-22(23)15-33-35(24)20-13-11-19(28)12-14-20/h4-15,32,37H,3,16-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414613
(CHEMBL561475)Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C27H26F4N4O2/c1-3-34(25(36)19-7-5-4-6-8-19)17-26(37,27(29,30)31)16-32-23-13-18(2)14-24-22(23)15-33-35(24)21-11-9-20(28)10-12-21/h4-15,32,37H,3,16-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414615
(CHEMBL559942)Show SMILES CCN(CC(O)(CNc1cc(C)cc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C27H27F3N4O2/c1-3-33(25(35)20-10-6-4-7-11-20)18-26(36,27(28,29)30)17-31-23-14-19(2)15-24-22(23)16-32-34(24)21-12-8-5-9-13-21/h4-16,31,36H,3,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414606
(CHEMBL550258)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(C)cccc1C Show InChI InChI=1S/C28H28F4N4O2/c1-4-35(26(37)25-18(2)7-5-8-19(25)3)17-27(38,28(30,31)32)16-33-23-9-6-10-24-22(23)15-34-36(24)21-13-11-20(29)12-14-21/h5-15,33,38H,4,16-17H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414618
(CHEMBL563595)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C26H25F3N4O2/c1-2-32(24(34)19-10-5-3-6-11-19)18-25(35,26(27,28)29)17-30-22-14-9-15-23-21(22)16-31-33(23)20-12-7-4-8-13-20/h3-16,30,35H,2,17-18H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414614
(CHEMBL561276)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C26H24F4N4O2/c1-2-33(24(35)18-7-4-3-5-8-18)17-25(36,26(28,29)30)16-31-22-9-6-10-23-21(22)15-32-34(23)20-13-11-19(27)12-14-20/h3-15,31,36H,2,16-17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414623
(CHEMBL394168)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414619
(CHEMBL559547)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H25F3N4O3S/c1-2-31(36(34,35)20-12-7-4-8-13-20)18-24(33,25(26,27)28)17-29-22-14-9-15-23-21(22)16-30-32(23)19-10-5-3-6-11-19/h3-16,29,33H,2,17-18H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414616
(CHEMBL558716)Show SMILES CCCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C27H27F3N4O2/c1-2-16-33(25(35)20-10-5-3-6-11-20)19-26(36,27(28,29)30)18-31-23-14-9-15-24-22(23)17-32-34(24)21-12-7-4-8-13-21/h3-15,17,31,36H,2,16,18-19H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414617
(CHEMBL559742)Show SMILES CN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 Show InChI InChI=1S/C25H23F3N4O2/c1-31(23(33)18-9-4-2-5-10-18)17-24(34,25(26,27)28)16-29-21-13-8-14-22-20(21)15-30-32(22)19-11-6-3-7-12-19/h2-15,29,34H,16-17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414620
(CHEMBL559546)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C25H24F4N4O3S/c1-2-32(37(35,36)20-13-11-18(26)12-14-20)17-24(34,25(27,28)29)16-30-22-9-6-10-23-21(22)15-31-33(23)19-7-4-3-5-8-19/h3-15,30,34H,2,16-17H2,1H3 | 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-5
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human MSK1 expressed in Sf9 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414604
(CHEMBL551816)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414604
(CHEMBL551816)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human S6K1 expressed in Escherichia coli |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414621
(CHEMBL562337)Show SMILES CCN(CC(O)(CNc1nc(C)nc2n(ncc12)-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H24F4N6O3S/c1-3-33(38(36,37)19-11-9-17(25)10-12-19)15-23(35,24(26,27)28)14-29-21-20-13-30-34(18-7-5-4-6-8-18)22(20)32-16(2)31-21/h4-13,35H,3,14-15H2,1-2H3,(H,29,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414609
(CHEMBL550730)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414609
(CHEMBL550730)Show SMILES CCN(CC(O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F Show InChI InChI=1S/C26H23F5N4O2/c1-2-34(24(36)19-6-3-4-7-21(19)28)16-25(37,26(29,30)31)15-32-22-8-5-9-23-20(22)14-33-35(23)18-12-10-17(27)11-13-18/h3-14,32,37H,2,15-16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414622
(CHEMBL564332)Show SMILES CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H23F4N5O4S/c1-2-30(36(34,35)17-10-8-15(23)9-11-17)14-21(33,22(24,25)26)13-28-20(32)18-12-29-31(19(18)27)16-6-4-3-5-7-16/h3-12,33H,2,13-14,27H2,1H3,(H,28,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 19: 4846-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.020 BindingDB Entry DOI: 10.7270/Q2RR20HH |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human PKCalpha expressed in Escherichia coli |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human GSK3b expressed in Sf21 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13531
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human SAPK2a/p38 expressed in Escherichia coli |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415789
(CHEMBL1093773)Show SMILES Cc1nn(C)c2ncc(C(=O)NCc3ccc(Cl)c(c3)C(F)(F)F)c(Cl)c12 Show InChI InChI=1S/C17H13Cl2F3N4O/c1-8-13-14(19)10(7-23-15(13)26(2)25-8)16(27)24-6-9-3-4-12(18)11(5-9)17(20,21)22/h3-5,7H,6H2,1-2H3,(H,24,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415788
(CHEMBL1093772)Show SMILES CCn1ncc2c(Cl)c(cnc12)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C17H13Cl2F3N4O/c1-2-26-15-10(8-25-26)14(19)11(7-23-15)16(27)24-6-9-3-4-13(18)12(5-9)17(20,21)22/h3-5,7-8H,2,6H2,1H3,(H,24,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human S6K1 expressed in Escherichia coli |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Homo sapiens (Human)) | BDBM13531
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human SAPK2b/p38b2 expressed in Escherichia coli |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415790
(CHEMBL1093774 | GSK-1564023A | US10272074, Example...)Show SMILES Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(C)nc(C)c3c2Cl)cc1 Show InChI InChI=1S/C21H20ClN5O2/c1-11-18-19(22)16(10-23-20(18)27(4)25-11)21(28)24-9-14-5-7-15(8-6-14)17-12(2)26-29-13(17)3/h5-8,10H,9H2,1-4H3,(H,24,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-5
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human MSK1 expressed in Sf9 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415791
(CHEMBL1089404)Show InChI InChI=1S/C18H19ClN4O/c1-4-23-17-14(10-22-23)16(19)15(9-20-17)18(24)21-8-13-6-11(2)5-12(3)7-13/h5-7,9-10H,4,8H2,1-3H3,(H,21,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415794
(CHEMBL1093602 | GSK-325971A)Show InChI InChI=1S/C18H19ClN4O/c1-4-23-17-14(10-22-23)16(19)15(9-20-17)18(24)21-8-13-6-5-11(2)7-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H,21,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415793
(CHEMBL1089744)Show SMILES Cc1nn(C)c2ncc(C(=O)NCc3cc(C)cc(C)c3)c(Cl)c12 Show InChI InChI=1S/C18H19ClN4O/c1-10-5-11(2)7-13(6-10)8-21-18(24)14-9-20-17-15(16(14)19)12(3)22-23(17)4/h5-7,9H,8H2,1-4H3,(H,21,24) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415792
(CHEMBL1089743)Show SMILES COc1cccc(c1)-c1ccccc1CNC(=O)c1cnc2n(C)nc(C)c2c1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14-20-21(24)19(13-25-22(20)28(2)27-14)23(29)26-12-16-7-4-5-10-18(16)15-8-6-9-17(11-15)30-3/h4-11,13H,12H2,1-3H3,(H,26,29) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415807
(CHEMBL1090973)Show SMILES CCCn1nc(C)c2c(Cl)c(cnc12)C(=O)NCc1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C23H24ClN5O2/c1-5-10-29-22-20(13(2)27-29)21(24)18(12-25-22)23(30)26-11-16-6-8-17(9-7-16)19-14(3)28-31-15(19)4/h6-9,12H,5,10-11H2,1-4H3,(H,26,30) | PDB
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Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415808
(CHEMBL1091054)Show SMILES Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(Cc4ccccn4)nc(C)c3c2Cl)cc1 Show InChI InChI=1S/C26H23ClN6O2/c1-15-23-24(27)21(13-29-25(23)33(31-15)14-20-6-4-5-11-28-20)26(34)30-12-18-7-9-19(10-8-18)22-16(2)32-35-17(22)3/h4-11,13H,12,14H2,1-3H3,(H,30,34) | PDB
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Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415806
(CHEMBL1094035)Show SMILES CC(C)n1nc(C)c2c(Cl)c(cnc12)C(=O)NCc1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C23H24ClN5O2/c1-12(2)29-22-20(13(3)27-29)21(24)18(11-25-22)23(30)26-10-16-6-8-17(9-7-16)19-14(4)28-31-15(19)5/h6-9,11-12H,10H2,1-5H3,(H,26,30) | PDB
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| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415796
(CHEMBL1089350)Show SMILES CCc1nn(C)c2ncc(C(=O)NCC3Cc4ccccc4C3)c(Cl)c12 Show InChI InChI=1S/C20H21ClN4O/c1-3-16-17-18(21)15(11-22-19(17)25(2)24-16)20(26)23-10-12-8-13-6-4-5-7-14(13)9-12/h4-7,11-12H,3,8-10H2,1-2H3,(H,23,26) | PDB
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Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415795
(CHEMBL1089745)Show InChI InChI=1S/C16H14Cl2N4O/c1-2-22-15-12(9-21-22)14(18)13(8-19-15)16(23)20-7-10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,20,23) | PDB
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| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | PDB MMDB
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University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of chicken SmMLCK expressed in Escherichia coli |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of rat ROCK2 expressed in Sf9 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
(Homo sapiens (Human)) | BDBM50325982
(CHEMBL608532 | KT-5720)Show SMILES CCCCCCOC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m1/s1 | PDB
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University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human PDK1 expressed in Sf21 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50415810
(CHEMBL1091440 | US10272074, Example 30)Show SMILES Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(nc(C)c3c2Cl)-c2ccccc2)cc1 Show InChI InChI=1S/C26H22ClN5O2/c1-15-23-24(27)21(14-28-25(23)32(30-15)20-7-5-4-6-8-20)26(33)29-13-18-9-11-19(12-10-18)22-16(2)31-34-17(22)3/h4-12,14H,13H2,1-3H3,(H,29,33) | PDB
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Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactiv... |
Bioorg Med Chem Lett 20: 2340-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.133 BindingDB Entry DOI: 10.7270/Q2SF2XDJ |
More data for this Ligand-Target Pair | |