Found 242 hits with Last Name = 'reno' and Initial = 'mj' 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 |
|---|
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293153
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21) | PDB
MMDB
NCI pathway
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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CDK2 by HTRF assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50293153
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21) | PDB
MMDB
NCI pathway
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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293154
(3-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)Show InChI InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23) | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CDK2 by HTRF assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM8129
(4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...)Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CDK2 by HTRF assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50293153
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21) | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293152
((4-Nitro-phenyl)-(4-pyrazolo[1,5-b]pyridazin-3-yl-...)Show SMILES [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-5-3-11(4-6-12)20-16-17-9-7-14(21-16)13-10-19-22-15(13)2-1-8-18-22/h1-10H,(H,17,20,21) | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CDK2 by HTRF assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293155
(CHEMBL497564 | N-(3-(oxazol-4-yl)phenyl)-4-(pyrazo...)Show SMILES N(c1cccc(c1)-c1cocn1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C19H13N7O/c1-3-13(17-11-27-12-21-17)9-14(4-1)24-19-20-8-6-16(25-19)15-10-23-26-18(15)5-2-7-22-26/h1-12H,(H,20,24,25) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CDK2 by HTRF assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293150
(CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CDK2 by HTRF assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50293154
(3-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)Show InChI InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23) | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM8129
(4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...)Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50293152
((4-Nitro-phenyl)-(4-pyrazolo[1,5-b]pyridazin-3-yl-...)Show SMILES [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-5-3-11(4-6-12)20-16-17-9-7-14(21-16)13-10-19-22-15(13)2-1-8-18-22/h1-10H,(H,17,20,21) | PDB
MMDB
NCI pathway
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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50293150
(CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM27973
(6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM27973
(6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of EGFR kinase |
Bioorg Med Chem Lett 18: 5738-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.090
BindingDB Entry DOI: 10.7270/Q2H70FTT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50293152
((4-Nitro-phenyl)-(4-pyrazolo[1,5-b]pyridazin-3-yl-...)Show SMILES [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-5-3-11(4-6-12)20-16-17-9-7-14(21-16)13-10-19-22-15(13)2-1-8-18-22/h1-10H,(H,17,20,21) | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM8126
(N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...)Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CDK2 by HTRF assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50293158
(CHEMBL495751 | N-(2-(diethylamino)ethyl)-3-(4-(pyr...)Show SMILES CCN(CC)CCNC(=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C23H26N8O/c1-3-30(4-2)14-13-24-22(32)17-7-5-8-18(15-17)28-23-25-12-10-20(29-23)19-16-27-31-21(19)9-6-11-26-31/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,24,32)(H,25,28,29) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50293155
(CHEMBL497564 | N-(3-(oxazol-4-yl)phenyl)-4-(pyrazo...)Show SMILES N(c1cccc(c1)-c1cocn1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C19H13N7O/c1-3-13(17-11-27-12-21-17)9-14(4-1)24-19-20-8-6-16(25-19)15-10-23-26-18(15)5-2-7-22-26/h1-12H,(H,20,24,25) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182908
(1-((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenyla...)Show SMILES CS(=O)(=O)CCNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN6O4S/c1-42(39,40)13-12-33-29(38)34-17-25-7-3-6-23(36-25)9-8-21-16-32-19-35-28(21)37-24-10-11-27(26(30)15-24)41-18-20-4-2-5-22(31)14-20/h2-7,10-11,14-16,19H,12-13,17-18H2,1H3,(H,32,35,37)(H2,33,34,38) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27974
(5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phen...)Show SMILES Nc1cnc(cn1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C25H16ClFN6OS/c26-20-9-17(5-7-22(20)34-13-15-2-1-3-16(27)8-15)33-25-24-21(31-14-32-25)10-19(35-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50293154
(3-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)Show InChI InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23) | PDB
MMDB
NCI pathway
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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
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
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50293255
((3R,5S)-5-((4-(3-chloro-4-(3-fluorobenzyloxy)pheny...)Show SMILES O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C25H20ClFN4O2S/c26-21-10-18(5-7-23(21)33-13-15-2-1-3-16(27)8-15)31-25-24-22(29-14-30-25)11-20(34-24)6-4-17-9-19(32)12-28-17/h1-3,5,7-8,10-11,14,17,19,28,32H,9,12-13H2,(H,29,30,31)/t17-,19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 kinase |
Bioorg Med Chem Lett 18: 5738-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.090
BindingDB Entry DOI: 10.7270/Q2H70FTT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182891
(CHEMBL205798 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-7-3-4-19(13-23)8-9-21-15-30-17-31-27(21)33-24-10-11-26(25(28)14-24)35-16-20-5-2-6-22(29)12-20/h2-7,10-15,17H,16H2,1H3,(H,32,34)(H,30,31,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182900
(CHEMBL381604 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50293166
(CHEMBL495545 | N-(4-(4-methylpiperazin-1-yl)phenyl...)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C21H22N8/c1-27-11-13-28(14-12-27)17-6-4-16(5-7-17)25-21-22-10-8-19(26-21)18-15-24-29-20(18)3-2-9-23-29/h2-10,15H,11-14H2,1H3,(H,22,25,26) | PDB
MMDB
NCI pathway
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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM8126
(N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...)Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27971
(6-Ethynylthieno[3,2-d]pyrimidine, 6 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-18-20(28-16)21(25-12-24-18)26-15-6-7-19(17(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50293151
(CHEMBL513354 | N-(3-((diethylamino)methyl)phenyl)-...)Show SMILES CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-5-8-17(13-16)25-21-22-12-10-19(26-21)18-14-24-28-20(18)9-6-11-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27973
(6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 kinase |
Bioorg Med Chem Lett 18: 5738-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.090
BindingDB Entry DOI: 10.7270/Q2H70FTT |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182891
(CHEMBL205798 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-7-3-4-19(13-23)8-9-21-15-30-17-31-27(21)33-24-10-11-26(25(28)14-24)35-16-20-5-2-6-22(29)12-20/h2-7,10-15,17H,16H2,1H3,(H,32,34)(H,30,31,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182893
((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...)Show SMILES OCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O2/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)31-25-18(13-28-16-29-25)7-8-20-5-2-6-22(14-32)30-20/h1-6,9-13,16,32H,14-15H2,(H,28,29,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27973
(6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50293255
((3R,5S)-5-((4-(3-chloro-4-(3-fluorobenzyloxy)pheny...)Show SMILES O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C25H20ClFN4O2S/c26-21-10-18(5-7-23(21)33-13-15-2-1-3-16(27)8-15)31-25-24-22(29-14-30-25)11-20(34-24)6-4-17-9-19(32)12-28-17/h1-3,5,7-8,10-11,14,17,19,28,32H,9,12-13H2,(H,29,30,31)/t17-,19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of EGFR kinase |
Bioorg Med Chem Lett 18: 5738-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.090
BindingDB Entry DOI: 10.7270/Q2H70FTT |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182908
(1-((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenyla...)Show SMILES CS(=O)(=O)CCNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN6O4S/c1-42(39,40)13-12-33-29(38)34-17-25-7-3-6-23(36-25)9-8-21-16-32-19-35-28(21)37-24-10-11-27(26(30)15-24)41-18-20-4-2-5-22(31)14-20/h2-7,10-11,14-16,19H,12-13,17-18H2,1H3,(H,32,35,37)(H2,33,34,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50293156
(4-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)Show InChI InChI=1S/C17H13N7O/c18-16(25)11-3-5-12(6-4-11)22-17-19-9-7-14(23-17)13-10-21-24-15(13)2-1-8-20-24/h1-10H,(H2,18,25)(H,19,22,23) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human CDK2 by HTRF assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM8131
(N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...)Show InChI InChI=1S/C19H18N6/c1-13(2)14-5-7-15(8-6-14)23-19-20-11-9-17(24-19)16-12-22-25-18(16)4-3-10-21-25/h3-13H,1-2H3,(H,20,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50293155
(CHEMBL497564 | N-(3-(oxazol-4-yl)phenyl)-4-(pyrazo...)Show SMILES N(c1cccc(c1)-c1cocn1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C19H13N7O/c1-3-13(17-11-27-12-21-17)9-14(4-1)24-19-20-8-6-16(25-19)15-10-23-26-18(15)5-2-7-22-26/h1-12H,(H,20,24,25) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50293150
(CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM28511
((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...)Show SMILES NC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C26H21ClFN5O3S/c27-21-10-18(5-7-23(21)35-13-15-2-1-3-16(28)8-15)33-25-24-22(31-14-32-25)11-20(37-24)6-4-17-9-19(12-30-17)36-26(29)34/h1-3,5,7-8,10-11,14,17,19,30H,9,12-13H2,(H2,29,34)(H,31,32,33)/t17-,19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr... |
Bioorg Med Chem Lett 19: 21-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.023
BindingDB Entry DOI: 10.7270/Q2NV9GKZ |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182906
(CHEMBL205045 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccn3)cc2Cl)c1 Show InChI InChI=1S/C24H16ClFN4O/c25-22-13-21(9-10-23(22)31-15-17-4-3-5-19(26)12-17)30-24-18(14-27-16-29-24)7-8-20-6-1-2-11-28-20/h1-6,9-14,16H,15H2,(H,27,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM27975
(6-Ethynylthieno[2,3-d]pyrimidine, 10 | N-{3-chloro...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C)cc2Cl)c1 Show InChI InChI=1S/C21H13ClFN3OS/c1-2-16-10-17-20(24-12-25-21(17)28-16)26-15-6-7-19(18(22)9-15)27-11-13-4-3-5-14(23)8-13/h1,3-10,12H,11H2,(H,24,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | 7.5 | 23 |
GSK
| Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t... |
Proc Natl Acad Sci U S A 105: 2773-8 (2008)
Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50293156
(4-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)Show InChI InChI=1S/C17H13N7O/c18-16(25)11-3-5-12(6-4-11)22-17-19-9-7-14(23-17)13-10-21-24-15(13)2-1-8-20-24/h1-10H,(H2,18,25)(H,19,22,23) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50293158
(CHEMBL495751 | N-(2-(diethylamino)ethyl)-3-(4-(pyr...)Show SMILES CCN(CC)CCNC(=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C23H26N8O/c1-3-30(4-2)14-13-24-22(32)17-7-5-8-18(15-17)28-23-25-12-10-20(29-23)19-16-27-31-21(19)9-6-11-26-31/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,24,32)(H,25,28,29) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of GSK3beta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5758-62 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM28526
((3R,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...)Show SMILES CCNC(=O)O[C@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(H,33,34,35)/t19-,21+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr... |
Bioorg Med Chem Lett 19: 21-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.023
BindingDB Entry DOI: 10.7270/Q2NV9GKZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM28512
((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...)Show SMILES CNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C27H23ClFN5O3S/c1-30-27(35)37-20-10-18(31-13-20)5-7-21-12-23-25(38-21)26(33-15-32-23)34-19-6-8-24(22(28)11-19)36-14-16-3-2-4-17(29)9-16/h2-4,6,8-9,11-12,15,18,20,31H,10,13-14H2,1H3,(H,30,35)(H,32,33,34)/t18-,20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr... |
Bioorg Med Chem Lett 19: 21-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.023
BindingDB Entry DOI: 10.7270/Q2NV9GKZ |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM28518
((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCNCC3)cc2Cl)c1 |r| Show InChI InChI=1S/C30H28ClFN6O3S/c31-25-14-22(5-7-27(25)40-17-19-2-1-3-20(32)12-19)37-29-28-26(35-18-36-29)15-24(42-28)6-4-21-13-23(16-34-21)41-30(39)38-10-8-33-9-11-38/h1-3,5,7,12,14-15,18,21,23,33-34H,8-11,13,16-17H2,(H,35,36,37)/t21-,23-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
| Assay Description
Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr... |
Bioorg Med Chem Lett 19: 21-6 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.023
BindingDB Entry DOI: 10.7270/Q2NV9GKZ |
More data for this
Ligand-Target Pair | |
Search and Browse
