Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50177901' 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)) | BDBM50177901
(CHEMBL3813756)Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cc(NC(=O)C=C)ccc1F |(14.13,-7.05,;13,-6.56,;11.76,-7.47,;10.35,-6.86,;10.17,-5.33,;11.41,-4.41,;12.82,-5.03,;8.81,-4.61,;8.59,-3.09,;7.09,-2.85,;6.36,-4.19,;7.43,-5.29,;6.41,-1.46,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.51,2.41,;4.2,.03,;4.87,-1.36,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.77,-2.89,;4.37,-4.31,;5.9,-4.51,;6.49,-5.93,;5.86,-6.75,;8.01,-6.13,;8.49,-7.27,;3.43,-5.54,;1.91,-5.34,;1.31,-3.92,;.09,-3.76,)| Show InChI InChI=1S/C29H28FN9O/c1-3-26(40)34-19-8-9-21(30)25(14-19)39-24-7-5-4-6-22(24)36-29(39)27-28(31)32-16-23(35-27)18-15-33-38(17-18)20-10-12-37(2)13-11-20/h3-9,14-17,20H,1,10-13H2,2H3,(H2,31,32)(H,34,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.39E+3 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of wild-type EGFR autophosphorylation in human LoVo cells incubated for 2 hrs followed by EGF-stiumlation for 10 mins by ELISA |
ACS Med Chem Lett 7: 514-9 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50177901
(CHEMBL3813756)Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cc(NC(=O)C=C)ccc1F |(14.13,-7.05,;13,-6.56,;11.76,-7.47,;10.35,-6.86,;10.17,-5.33,;11.41,-4.41,;12.82,-5.03,;8.81,-4.61,;8.59,-3.09,;7.09,-2.85,;6.36,-4.19,;7.43,-5.29,;6.41,-1.46,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.51,2.41,;4.2,.03,;4.87,-1.36,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.77,-2.89,;4.37,-4.31,;5.9,-4.51,;6.49,-5.93,;5.86,-6.75,;8.01,-6.13,;8.49,-7.27,;3.43,-5.54,;1.91,-5.34,;1.31,-3.92,;.09,-3.76,)| Show InChI InChI=1S/C29H28FN9O/c1-3-26(40)34-19-8-9-21(30)25(14-19)39-24-7-5-4-6-22(24)36-29(39)27-28(31)32-16-23(35-27)18-15-33-38(17-18)20-10-12-37(2)13-11-20/h3-9,14-17,20H,1,10-13H2,2H3,(H2,31,32)(H,34,40) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA |
ACS Med Chem Lett 7: 514-9 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50177901
(CHEMBL3813756)Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cc(NC(=O)C=C)ccc1F |(14.13,-7.05,;13,-6.56,;11.76,-7.47,;10.35,-6.86,;10.17,-5.33,;11.41,-4.41,;12.82,-5.03,;8.81,-4.61,;8.59,-3.09,;7.09,-2.85,;6.36,-4.19,;7.43,-5.29,;6.41,-1.46,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.51,2.41,;4.2,.03,;4.87,-1.36,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.77,-2.89,;4.37,-4.31,;5.9,-4.51,;6.49,-5.93,;5.86,-6.75,;8.01,-6.13,;8.49,-7.27,;3.43,-5.54,;1.91,-5.34,;1.31,-3.92,;.09,-3.76,)| Show InChI InChI=1S/C29H28FN9O/c1-3-26(40)34-19-8-9-21(30)25(14-19)39-24-7-5-4-6-22(24)36-29(39)27-28(31)32-16-23(35-27)18-15-33-38(17-18)20-10-12-37(2)13-11-20/h3-9,14-17,20H,1,10-13H2,2H3,(H2,31,32)(H,34,40) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA |
ACS Med Chem Lett 7: 514-9 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN |
More data for this
Ligand-Target Pair | |
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