Found 597 hits with Last Name = 'shipley' and Initial = 'j' 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 |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413296
(CHEMBL473764)Show SMILES COc1cc(Nc2c(cnc3c(C)cc(cc23)S(C)(=O)=O)C(N)=O)ccc1F Show InChI InChI=1S/C19H18FN3O4S/c1-10-6-12(28(3,25)26)8-13-17(10)22-9-14(19(21)24)18(13)23-11-4-5-15(20)16(7-11)27-2/h4-9H,1-3H3,(H2,21,24)(H,22,23) | PDB
UniProtKB/SwissProt
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 Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413297
(CHEMBL473560)Show SMILES Cc1cc(cc2c(Nc3cccc(c3)C#N)c(cnc12)C(N)=O)S(C)(=O)=O Show InChI InChI=1S/C19H16N4O3S/c1-11-6-14(27(2,25)26)8-15-17(11)22-10-16(19(21)24)18(15)23-13-5-3-4-12(7-13)9-20/h3-8,10H,1-2H3,(H2,21,24)(H,22,23) | PDB
UniProtKB/SwissProt
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 Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413291
(CHEMBL515240)Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1 Show InChI InChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
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 Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535083
(CHEMBL4460676)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCC2(F)F)n1 |r| Show InChI InChI=1S/C20H23F2N7/c1-29(2)17-4-3-13(10-26-17)15-9-16-18(25-8-7-24-16)19(28-15)27-12-14-11-23-6-5-20(14,21)22/h3-4,7-10,14,23H,5-6,11-12H2,1-2H3,(H,27,28)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070 BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413286
(CHEMBL517766)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc4OCCc34)c2c1 Show InChI InChI=1S/C19H17N3O4S/c1-27(24,25)11-5-6-15-13(9-11)18(14(10-21-15)19(20)23)22-16-3-2-4-17-12(16)7-8-26-17/h2-6,9-10H,7-8H2,1H3,(H2,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
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 Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
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 | 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) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413298
(CHEMBL462150)Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C(N)=O)c1 Show InChI InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.98 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535084
(CHEMBL3546703)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(OC[C@H]2CCCNC2)n1 Show InChI InChI=1S/C20H24N6O/c1-26(2)18-6-5-15(12-24-18)16-10-17-19(23-9-8-22-17)20(25-16)27-13-14-4-3-7-21-11-14/h5-6,8-10,12,14,21H,3-4,7,11,13H2,1-2H3/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070 BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50419265
(CHEMBL1835069)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H22F2N6O/c1-10-3-2-4-11(7-10)24-16-12(15(22)27)9-23-17(26-16)25-14-8-18(19,20)6-5-13(14)21/h2-4,7,9,13-14H,5-6,8,21H2,1H3,(H2,22,27)(H2,23,24,25,26)/t13-,14+/m0/s1 | PDB MMDB
NCI pathway 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 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535112
(CHEMBL4439328)Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCC2(F)F)n1 |r| Show InChI InChI=1S/C17H19F2N7/c1-26-10-11(7-24-26)13-6-14-15(22-5-4-21-14)16(25-13)23-9-12-8-20-3-2-17(12,18)19/h4-7,10,12,20H,2-3,8-9H2,1H3,(H,23,25)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070 BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535097
(CHEMBL4561098)Show InChI InChI=1S/C17H18F2N6O/c1-25-9-11(7-23-25)13-6-14-15(22-5-4-21-14)16(24-13)26-10-12-8-20-3-2-17(12,18)19/h4-7,9,12,20H,2-3,8,10H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070 BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413306
(CHEMBL515098)Show SMILES COc1cc(Nc2c(cnc3c(OC)cc(cc23)S(C)(=O)=O)C(N)=O)ccc1F Show InChI InChI=1S/C19H18FN3O5S/c1-27-15-6-10(4-5-14(15)20)23-17-12-7-11(29(3,25)26)8-16(28-2)18(12)22-9-13(17)19(21)24/h4-9H,1-3H3,(H2,21,24)(H,22,23) | PDB
UniProtKB/SwissProt
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 Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50396073
(CHEMBL1235110)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535093
(CHEMBL4472827)Show SMILES CN(C)c1ccc(cn1)-c1cc(NC[C@H]2CCCNC2)c2cccnc2c1 |r| Show InChI InChI=1S/C22H27N5/c1-27(2)22-8-7-17(15-26-22)18-11-20-19(6-4-10-24-20)21(12-18)25-14-16-5-3-9-23-13-16/h4,6-8,10-12,15-16,23,25H,3,5,9,13-14H2,1-2H3/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070 BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
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)) | 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 | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413288
(CHEMBL517590)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3F)c2c1 Show InChI InChI=1S/C17H13ClFN3O3S/c1-26(24,25)9-5-6-13-10(7-9)16(11(8-21-13)17(20)23)22-14-4-2-3-12(18)15(14)19/h2-8H,1H3,(H2,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153099
(CHEMBL3775814)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccc(cc2)C#N)cn1 Show InChI InChI=1S/C24H23N7O/c25-13-17-1-3-19(4-2-17)20-7-11-30(12-8-20)10-6-18-14-29-31(15-18)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,20H,6-8,10-12H2,(H,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535107
(CHEMBL4468047)Show SMILES CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C21H26N6/c1-27(2)20-8-7-16(14-24-20)18-11-19-17(6-4-10-23-19)21(26-18)25-13-15-5-3-9-22-12-15/h4,6-8,10-11,14-15,22H,3,5,9,12-13H2,1-2H3,(H,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070 BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
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)) | 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 | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50419258
(CHEMBL1835070)Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-6-8-12(9-7-11)22-17-13(16(20)25)10-21-18(24-17)23-15-5-3-2-4-14(15)19/h6-10,14-15H,2-5,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway 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 R&D
Curated by ChEMBL
| Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153101
(CHEMBL3774665)Show SMILES CS(=O)(=O)c1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C24H26N6O3S/c1-34(32,33)20-4-2-18(3-5-20)19-8-12-29(13-9-19)11-7-17-14-28-30(15-17)23-22-21(6-10-25-23)24(31)27-16-26-22/h2-6,10,14-16,19H,7-9,11-13H2,1H3,(H,26,27,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153161
(CHEMBL3775545)Show SMILES COc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C24H26N6O2/c1-32-20-4-2-18(3-5-20)19-8-12-29(13-9-19)11-7-17-14-28-30(15-17)23-22-21(6-10-25-23)24(31)27-16-26-22/h2-6,10,14-16,19H,7-9,11-13H2,1H3,(H,26,27,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50151919
(CHEMBL3775121)Show SMILES Fc1ccc(C2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)c(F)c1 Show InChI InChI=1S/C23H22F2N6O/c24-17-1-2-18(20(25)11-17)16-5-9-30(10-6-16)8-4-15-12-29-31(13-15)22-21-19(3-7-26-22)23(32)28-14-27-21/h1-3,7,11-14,16H,4-6,8-10H2,(H,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM6B (unknown origin) using biotin-H3K27me3 (21 to 44 residues) as substrate preincubated for 15 mins followed by substrate addition m... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5C
(Homo sapiens (Human)) | BDBM50153181
(CHEMBL3774692)Show InChI InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153181
(CHEMBL3774692)Show InChI InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
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)) | 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 | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50419256
(CHEMBL1835065 | US9579320, Example 302)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153092
(CHEMBL3775894)Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50152029
(CHEMBL3775899)Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1 Show InChI InChI=1S/C24H25ClN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153075
(CHEMBL3774940)Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1Cl Show InChI InChI=1S/C24H24Cl2N6O/c25-20-2-1-17(12-21(20)26)11-16-4-8-31(9-5-16)10-6-18-13-30-32(14-18)23-22-19(3-7-27-23)24(33)29-15-28-22/h1-3,7,12-16H,4-6,8-11H2,(H,28,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153076
(CHEMBL3775516)Show SMILES FC(F)(F)c1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1 Show InChI InChI=1S/C25H25F3N6O/c26-25(27,28)20-3-1-17(2-4-20)13-18-6-10-33(11-7-18)12-8-19-14-32-34(15-19)23-22-21(5-9-29-23)24(35)31-16-30-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,30,31,35) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153094
(CHEMBL3775277)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccncc2)cn1 Show InChI InChI=1S/C22H23N7O/c30-22-19-3-9-24-21(20(19)25-15-26-22)29-14-16(13-27-29)4-10-28-11-5-18(6-12-28)17-1-7-23-8-2-17/h1-3,7-9,13-15,18H,4-6,10-12H2,(H,25,26,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
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)) | 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 | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413299
(CHEMBL463417)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H14ClN3O3S/c1-25(23,24)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50535089
(CHEMBL4528289)Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r| Show InChI InChI=1S/C20H25N7/c1-27(2)18-6-5-15(13-24-18)16-10-17-19(23-9-8-22-17)20(26-16)25-12-14-4-3-7-21-11-14/h5-6,8-10,13-14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by... |
Bioorg Med Chem Lett 26: 4606-4612 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.070 BindingDB Entry DOI: 10.7270/Q2GM8BT3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153073
(CHEMBL3775451)Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3ccc4OCOc4c3)CC2)cn1 Show InChI InChI=1S/C25H26N6O3/c32-25-20-3-7-26-24(23(20)27-15-28-25)31-14-19(13-29-31)6-10-30-8-4-17(5-9-30)11-18-1-2-21-22(12-18)34-16-33-21/h1-3,7,12-15,17H,4-6,8-11,16H2,(H,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1/3
(Homo sapiens (Human)) | BDBM50396073
(CHEMBL1235110)Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay |
Bioorg Med Chem Lett 21: 6188-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50153092
(CHEMBL3775894)Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153077
(CHEMBL3775040)Show SMILES Fc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1 Show InChI InChI=1S/C24H25FN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50153069
(CHEMBL3775953)Show SMILES Fc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23FN6O/c24-19-3-1-17(2-4-19)18-7-11-29(12-8-18)10-6-16-13-28-30(14-16)22-21-20(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,18H,6-8,10-12H2,(H,26,27,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5B
(Homo sapiens (Human)) | BDBM50151917
(CHEMBL3775548)Show SMILES FC(F)(F)c1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C24H23F3N6O/c25-24(26,27)19-3-1-2-18(12-19)17-6-10-32(11-7-17)9-5-16-13-31-33(14-16)22-21-20(4-8-28-22)23(34)30-15-29-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,29,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of KDM6B (unknown origin) using biotin-H3K27me3 (21 to 44 residues) as substrate preincubated for 15 mins followed by substrate addition m... |
J Med Chem 59: 1388-409 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01635 BindingDB Entry DOI: 10.7270/Q2W097TR |
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 | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50413285
(CHEMBL463418)Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C18H14N4O3S/c1-26(24,25)13-5-6-16-14(8-13)17(15(10-21-16)18(20)23)22-12-4-2-3-11(7-12)9-19/h2-8,10H,1H3,(H2,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE4B by scintillation proximity assay |
Bioorg Med Chem Lett 19: 1380-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.045 BindingDB Entry DOI: 10.7270/Q2FJ2J0J |
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 | |