Found 144 hits with Last Name = 'makawana' and Initial = 'ja' 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 |
|---|
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50029085
(CHEBI:83405 | CHEMBL525191 | GDC-0879)Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
Bioorg Med Chem 22: 6201-8 (2014)
Article DOI: 10.1016/j.bmc.2014.08.029
BindingDB Entry DOI: 10.7270/Q2RB7658 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
KEGG
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
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Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
KEGG
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CHEMBL
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PC cid
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel... |
Bioorg Med Chem Lett 23: 6264-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
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PC cid
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103527
(CHEMBL3325477)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C26H23N7O3/c1-2-36-26(35)23-21(17-13-15-7-3-4-9-18(15)33-25(17)29-30-31-33)22-19(10-5-11-20(22)34)32(24(23)27)16-8-6-12-28-14-16/h3-4,6-9,12-14,21H,2,5,10-11,27H2,1H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009639
(CHEMBL3235202)Show SMILES COc1ccc(Oc2nc3ccc(C)cc3cc2\C=N\NC(=O)Cn2c(C)ncc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C24H22N6O5/c1-15-4-9-21-17(10-15)11-18(24(27-21)35-20-7-5-19(34-3)6-8-20)12-26-28-22(31)14-29-16(2)25-13-23(29)30(32)33/h4-13H,14H2,1-3H3,(H,28,31)/b26-12+ | PDB
MMDB
KEGG
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B.MOAD
DrugBank
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
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CHEMBL
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PC cid
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009638
(CHEMBL3235201)Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccc(C)cc1)[N+]([O-])=O Show InChI InChI=1S/C24H22N6O4/c1-15-4-7-20(8-5-15)34-24-19(11-18-10-16(2)6-9-21(18)27-24)12-26-28-22(31)14-29-17(3)25-13-23(29)30(32)33/h4-13H,14H2,1-3H3,(H,28,31)/b26-12+ | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50103527
(CHEMBL3325477)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C26H23N7O3/c1-2-36-26(35)23-21(17-13-15-7-3-4-9-18(15)33-25(17)29-30-31-33)22-19(10-5-11-20(22)34)32(24(23)27)16-8-6-12-28-14-16/h3-4,6-9,12-14,21H,2,5,10-11,27H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50102489
(CHEMBL3325479)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H25N7O4/c1-3-38-27(36)24-22(18-13-15-12-17(37-2)9-10-19(15)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)16-6-5-11-29-14-16/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50443294
(CHEMBL3088220)Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccc(O)cc1)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9| Show InChI InChI=1S/C19H16BrN5O4/c1-12-21-10-18(25(28)29)24(12)11-17(13-2-6-15(20)7-3-13)22-23-19(27)14-4-8-16(26)9-5-14/h2-10,26H,11H2,1H3,(H,23,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel... |
Bioorg Med Chem Lett 23: 6264-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009642
(CHEMBL3234866)Show SMILES COc1ccc(Oc2nc3ccccc3cc2\C=N\NC(=O)Cn2c(C)ncc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H20N6O5/c1-15-24-13-22(29(31)32)28(15)14-21(30)27-25-12-17-11-16-5-3-4-6-20(16)26-23(17)34-19-9-7-18(33-2)8-10-19/h3-13H,14H2,1-2H3,(H,27,30)/b25-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009643
(CHEMBL3234867)Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2ccccc2nc1Oc1ccc(F)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17FN6O4/c1-14-24-12-21(29(31)32)28(14)13-20(30)27-25-11-16-10-15-4-2-3-5-19(15)26-22(16)33-18-8-6-17(23)7-9-18/h2-12H,13H2,1H3,(H,27,30)/b25-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009640
(CHEMBL3235203)Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccc(F)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H19FN6O4/c1-14-3-8-20-16(9-14)10-17(23(27-20)34-19-6-4-18(24)5-7-19)11-26-28-21(31)13-29-15(2)25-12-22(29)30(32)33/h3-12H,13H2,1-2H3,(H,28,31)/b26-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50443293
(CHEMBL3088219)Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccc(N)cc1)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9| Show InChI InChI=1S/C19H17BrN6O3/c1-12-22-10-18(26(28)29)25(12)11-17(13-2-6-15(20)7-3-13)23-24-19(27)14-4-8-16(21)9-5-14/h2-10H,11,21H2,1H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel... |
Bioorg Med Chem Lett 23: 6264-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009640
(CHEMBL3235203)Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccc(F)cc1)[N+]([O-])=O Show InChI InChI=1S/C23H19FN6O4/c1-14-3-8-20-16(9-14)10-17(23(27-20)34-19-6-4-18(24)5-7-19)11-26-28-21(31)13-29-15(2)25-12-22(29)30(32)33/h3-12H,13H2,1-2H3,(H,28,31)/b26-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016095
(CHEMBL3261192)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2c(F)cccc2Cl)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H17ClFN3O6/c23-16-4-2-5-17(24)14(16)7-8-19-25-13-20(27(29)30)26(19)9-10-33-22(28)15-3-1-6-18-21(15)32-12-11-31-18/h1-8,13H,9-12H2/b8-7- | 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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009023
(CHEMBL3237948)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(C)cc1)C(=O)CC(C)(C)C2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C30H32ClN5O3/c1-6-39-29(38)26-25(23-18(3)34-36(27(23)31)19-11-9-17(2)10-12-19)24-21(14-30(4,5)15-22(24)37)35(28(26)32)20-8-7-13-33-16-20/h7-13,16,25H,6,14-15,32H2,1-5H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50102489
(CHEMBL3325479)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H25N7O4/c1-3-38-27(36)24-22(18-13-15-12-17(37-2)9-10-19(15)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)16-6-5-11-29-14-16/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009020
(CHEMBL3237945)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(C)cc1)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C28H28ClN5O3/c1-4-37-28(36)25-24(22-17(3)32-34(26(22)29)18-12-10-16(2)11-13-18)23-20(8-5-9-21(23)35)33(27(25)30)19-7-6-14-31-15-19/h6-7,10-15,24H,4-5,8-9,30H2,1-3H3 | 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 | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016096
(CHEMBL3261193)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc3ccccc23)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C26H21N3O6/c30-26(21-9-4-10-22-25(21)34-16-15-33-22)35-14-13-28-23(27-17-24(28)29(31)32)12-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-12,17H,13-16H2/b12-11- | 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 | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009024
(CHEMBL3237949)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(Cl)cc1)C(=O)CC(C)(C)C2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C29H29Cl2N5O3/c1-5-39-28(38)25-24(22-16(2)34-36(26(22)31)18-10-8-17(30)9-11-18)23-20(13-29(3,4)14-21(23)37)35(27(25)32)19-7-6-12-33-15-19/h6-12,15,24H,5,13-14,32H2,1-4H3 | 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 | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103531
(CHEMBL3325473)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C25H21N7O3/c1-35-25(34)22-20(16-12-14-6-2-3-8-17(14)32-24(16)28-29-30-32)21-18(9-4-10-19(21)33)31(23(22)26)15-7-5-11-27-13-15/h2-3,5-8,11-13,20H,4,9-10,26H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103528
(CHEMBL3325475)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C26H23N7O4/c1-36-16-8-9-18-14(11-16)12-17(25-29-30-31-33(18)25)21-22-19(6-3-7-20(22)34)32(15-5-4-10-28-13-15)24(27)23(21)26(35)37-2/h4-5,8-13,21H,3,6-7,27H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009637
(CHEMBL3235200)Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C23H20N6O4/c1-15-8-9-20-17(10-15)11-18(23(26-20)33-19-6-4-3-5-7-19)12-25-27-21(30)14-28-16(2)24-13-22(28)29(31)32/h3-13H,14H2,1-2H3,(H,27,30)/b25-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50045307
(CHEMBL3311089)Show SMILES COc1ccc(cc1OC)C(=O)Nc1nnc(\C=C\c2cc(OC)c(OC)c(OC)c2Br)s1 Show InChI InChI=1S/C22H22BrN3O6S/c1-28-14-8-6-13(11-15(14)29-2)21(27)24-22-26-25-17(33-22)9-7-12-10-16(30-3)19(31-4)20(32-5)18(12)23/h6-11H,1-5H3,(H,24,26,27)/b9-7+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016084
(CHEMBL3261182)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(Br)cc2)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18BrN3O6/c23-16-7-4-15(5-8-16)6-9-19-24-14-20(26(28)29)25(19)10-11-32-22(27)17-2-1-3-18-21(17)31-13-12-30-18/h1-9,14H,10-13H2/b9-6- | 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 | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50005480
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50443295
(CHEMBL3088221)Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccccc1N)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9| Show InChI InChI=1S/C19H17BrN6O3/c1-12-22-10-18(26(28)29)25(12)11-17(13-6-8-14(20)9-7-13)23-24-19(27)15-4-2-3-5-16(15)21/h2-10H,11,21H2,1H3,(H,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel... |
Bioorg Med Chem Lett 23: 6264-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50103531
(CHEMBL3325473)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C25H21N7O3/c1-35-25(34)22-20(16-12-14-6-2-3-8-17(14)32-24(16)28-29-30-32)21-18(9-4-10-19(21)33)31(23(22)26)15-7-5-11-27-13-15/h2-3,5-8,11-13,20H,4,9-10,26H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009018
(CHEMBL3237944)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccccc1)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H26ClN5O3/c1-3-36-27(35)24-23(21-16(2)31-33(25(21)28)17-9-5-4-6-10-17)22-19(12-7-13-20(22)34)32(26(24)29)18-11-8-14-30-15-18/h4-6,8-11,14-15,23H,3,7,12-13,29H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50103528
(CHEMBL3325475)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C26H23N7O4/c1-36-16-8-9-18-14(11-16)12-17(25-29-30-31-33(18)25)21-22-19(6-3-7-20(22)34)32(15-5-4-10-28-13-15)24(27)23(21)26(35)37-2/h4-5,8-13,21H,3,6-7,27H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50005480
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009639
(CHEMBL3235202)Show SMILES COc1ccc(Oc2nc3ccc(C)cc3cc2\C=N\NC(=O)Cn2c(C)ncc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C24H22N6O5/c1-15-4-9-21-17(10-15)11-18(24(27-21)35-20-7-5-19(34-3)6-8-20)12-26-28-22(31)14-29-16(2)25-13-23(29)30(32)33/h4-13H,14H2,1-3H3,(H,28,31)/b26-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50056757
(CHEMBL3331011)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(Cl)cc2Cl)n1CCOC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H16Cl2N4O4/c23-15-7-5-14(18(24)11-15)6-8-20-26-13-21(28(30)31)27(20)9-10-32-22(29)17-12-25-19-4-2-1-3-16(17)19/h1-8,11-13,25H,9-10H2/b8-6- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry |
Eur J Med Chem 85: 341-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50443296
(CHEMBL3088222)Show SMILES Cc1ncc(n1CC(=NNC(=O)c1ccccc1O)c1ccc(Br)cc1)[N+]([O-])=O |w:8.9| Show InChI InChI=1S/C19H16BrN5O4/c1-12-21-10-18(25(28)29)24(12)11-16(13-6-8-14(20)9-7-13)22-23-19(27)15-4-2-3-5-17(15)26/h2-10,26H,11H2,1H3,(H,23,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cel... |
Bioorg Med Chem Lett 23: 6264-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.086
BindingDB Entry DOI: 10.7270/Q2FX7BWD |
More data for this
Ligand-Target Pair | |
Similar to alpha-tubulin isoform 1
(Bos taurus) | BDBM50045305
(CHEMBL3311087)Show SMILES COc1cccc(c1)C(=O)Nc1nnc(\C=C\c2cc(OC)c(OC)c(OC)c2Br)s1 Show InChI InChI=1S/C21H20BrN3O5S/c1-27-14-7-5-6-13(10-14)20(26)23-21-25-24-16(31-21)9-8-12-11-15(28-2)18(29-3)19(30-4)17(12)22/h5-11H,1-4H3,(H,23,25,26)/b9-8+ | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain tubulin polymerization after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 4312-22 (2014)
Article DOI: 10.1016/j.bmc.2014.05.017
BindingDB Entry DOI: 10.7270/Q2TF000J |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009637
(CHEMBL3235200)Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2cc(C)ccc2nc1Oc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C23H20N6O4/c1-15-8-9-20-17(10-15)11-18(23(26-20)33-19-6-4-3-5-7-19)12-25-27-21(30)14-28-16(2)24-13-22(28)29(31)32/h3-13H,14H2,1-2H3,(H,27,30)/b25-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016080
(CHEMBL3261178)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc(Cl)c2)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18ClN3O6/c23-16-4-1-3-15(13-16)7-8-19-24-14-20(26(28)29)25(19)9-10-32-22(27)17-5-2-6-18-21(17)31-12-11-30-18/h1-8,13-14H,9-12H2/b8-7- | 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 | 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50102490
(CHEMBL3325478)Show SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9| Show InChI InChI=1S/C27H25N7O3/c1-3-37-27(36)24-22(18-13-16-12-15(2)9-10-19(16)34-26(18)30-31-32-34)23-20(7-4-8-21(23)35)33(25(24)28)17-6-5-11-29-14-17/h5-6,9-14,22H,3-4,7-8,28H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009644
(CHEMBL3235199)Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2ccccc2nc1Oc1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17ClN6O4/c1-14-24-12-21(29(31)32)28(14)13-20(30)27-25-11-16-10-15-4-2-3-5-19(15)26-22(16)33-18-8-6-17(23)7-9-18/h2-12H,13H2,1H3,(H,27,30)/b25-11+ | 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 | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by ti... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50008995
(CHEMBL3237940)Show SMILES Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CCC2)c1cccnc1)-c1ccc(Cl)cc1 |c:15,t:11| Show InChI InChI=1S/C25H20Cl2N6O/c1-14-21(24(27)33(31-14)16-9-7-15(26)8-10-16)22-18(12-28)25(29)32(17-4-3-11-30-13-17)19-5-2-6-20(34)23(19)22/h3-4,7-11,13,22H,2,5-6,29H2,1H3 | 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 | 4.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/t... |
Eur J Med Chem 76: 549-57 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.018
BindingDB Entry DOI: 10.7270/Q2765GVR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50103532
(CHEMBL3325474)Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8| Show InChI InChI=1S/C26H23N7O3/c1-14-8-9-18-15(11-14)12-17(25-29-30-31-33(18)25)21-22-19(6-3-7-20(22)34)32(16-5-4-10-28-13-16)24(27)23(21)26(35)36-2/h4-5,8-13,21H,3,6-7,27H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50016085
(CHEMBL3261183)Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2F)n1CCOC(=O)c1cccc2OCCOc12 Show InChI InChI=1S/C22H18FN3O6/c23-17-6-2-1-4-15(17)8-9-19-24-14-20(26(28)29)25(19)10-11-32-22(27)16-5-3-7-18-21(16)31-13-12-30-18/h1-9,14H,10-13H2/b9-8- | 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 | 4.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method |
Bioorg Med Chem 22: 2947-54 (2014)
Article DOI: 10.1016/j.bmc.2014.04.005
BindingDB Entry DOI: 10.7270/Q25B041Q |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50102485
(CHEMBL3327179)Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)N1c1cccnc1)c1cc2ccccc2n2nnnc12 |c:1,t:6| Show InChI InChI=1S/C24H18N8O/c25-12-17-21(16-11-14-5-1-2-7-18(14)32-24(16)28-29-30-32)22-19(8-3-9-20(22)33)31(23(17)26)15-6-4-10-27-13-15/h1-2,4-7,10-11,13,21H,3,8-9,26H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reducti... |
Bioorg Med Chem Lett 24: 4472-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.094
BindingDB Entry DOI: 10.7270/Q2PV6N5T |
More data for this
Ligand-Target Pair | |
3-oxoacyl-[acyl-carrier-protein] synthase 3
(Escherichia coli) | BDBM50031298
(CHEMBL3352863)Show SMILES Cc1ncc(n1CCOc1ccc(\C=N\Nc2nc(cs2)-c2ccccc2Br)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H19BrN6O3S/c1-15-24-13-21(29(30)31)28(15)10-11-32-17-8-6-16(7-9-17)12-25-27-22-26-20(14-33-22)18-4-2-3-5-19(18)23/h2-9,12-14H,10-11H2,1H3,(H,26,27)/b25-12+ | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Life Science Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli FabH |
Bioorg Med Chem Lett (2014)
Article DOI: 10.1016/j.bmcl.2014.09.054
BindingDB Entry DOI: 10.7270/Q2XP76HR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50009644
(CHEMBL3235199)Show SMILES Cc1ncc(n1CC(=O)N\N=C\c1cc2ccccc2nc1Oc1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17ClN6O4/c1-14-24-12-21(29(31)32)28(14)13-20(30)27-25-11-16-10-15-4-2-3-5-19(15)26-22(16)33-18-8-6-17(23)7-9-18/h2-12H,13H2,1H3,(H,27,30)/b25-11+ | 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 | 5.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-res... |
Bioorg Med Chem Lett 24: 1734-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.041
BindingDB Entry DOI: 10.7270/Q2HH6MKS |
More data for this
Ligand-Target Pair | |
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