Found 4 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50394210
(CHEMBL2159053)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9| Show InChI InChI=1S/C23H18Cl2N2O3/c1-30-18-9-4-14(5-10-18)20-13-21(15-2-6-16(24)7-3-15)27(26-20)23(29)19-11-8-17(25)12-22(19)28/h2-12,21,28H,13H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 22: 6596-601 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.004
BindingDB Entry DOI: 10.7270/Q25M66TW |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50394210
(CHEMBL2159053)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9| Show InChI InChI=1S/C23H18Cl2N2O3/c1-30-18-9-4-14(5-10-18)20-13-21(15-2-6-16(24)7-3-15)27(26-20)23(29)19-11-8-17(25)12-22(19)28/h2-12,21,28H,13H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HER2 |
Bioorg Med Chem Lett 22: 6596-601 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.004
BindingDB Entry DOI: 10.7270/Q25M66TW |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50394210
(CHEMBL2159053)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9| Show InChI InChI=1S/C23H18Cl2N2O3/c1-30-18-9-4-14(5-10-18)20-13-21(15-2-6-16(24)7-3-15)27(26-20)23(29)19-11-8-17(25)12-22(19)28/h2-12,21,28H,13H2,1H3 | 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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Aurora A kinase using PLK as substrate incubated for 15 mins prior to substrate addition measured after 60 mins by im... |
Bioorg Med Chem Lett 22: 6596-601 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.004
BindingDB Entry DOI: 10.7270/Q25M66TW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50394210
(CHEMBL2159053)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9| Show InChI InChI=1S/C23H18Cl2N2O3/c1-30-18-9-4-14(5-10-18)20-13-21(15-2-6-16(24)7-3-15)27(26-20)23(29)19-11-8-17(25)12-22(19)28/h2-12,21,28H,13H2,1H3 | 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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 using gastrin as substrate after 60 mins by immunofluorescence method |
Bioorg Med Chem Lett 22: 6596-601 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.004
BindingDB Entry DOI: 10.7270/Q25M66TW |
More data for this
Ligand-Target Pair | |
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