Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50177900' 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)) | BDBM50177900
(CHEMBL3814957)Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1F |(6.08,-10.99,;6.39,-9.79,;7.87,-9.38,;8.25,-7.88,;7.15,-6.81,;5.67,-7.22,;5.29,-8.72,;7.42,-5.29,;6.35,-4.19,;7.09,-2.85,;8.59,-3.09,;8.81,-4.62,;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,;3.43,-5.54,;1.91,-5.34,;.97,-6.57,;1.57,-7.99,;2.79,-8.14,;.64,-9.21,;1.12,-10.35,;1.31,-3.92,;.09,-3.76,)| Show InChI InChI=1S/C29H28FN9O/c1-3-25(40)34-21-8-6-10-24(26(21)30)39-23-9-5-4-7-20(23)36-29(39)27-28(31)32-16-22(35-27)18-15-33-38(17-18)19-11-13-37(2)14-12-19/h3-10,15-17,19H,1,11-14H2,2H3,(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 | 2.06E+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)) | BDBM50177900
(CHEMBL3814957)Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1F |(6.08,-10.99,;6.39,-9.79,;7.87,-9.38,;8.25,-7.88,;7.15,-6.81,;5.67,-7.22,;5.29,-8.72,;7.42,-5.29,;6.35,-4.19,;7.09,-2.85,;8.59,-3.09,;8.81,-4.62,;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,;3.43,-5.54,;1.91,-5.34,;.97,-6.57,;1.57,-7.99,;2.79,-8.14,;.64,-9.21,;1.12,-10.35,;1.31,-3.92,;.09,-3.76,)| Show InChI InChI=1S/C29H28FN9O/c1-3-25(40)34-21-8-6-10-24(26(21)30)39-23-9-5-4-7-20(23)36-29(39)27-28(31)32-16-22(35-27)18-15-33-38(17-18)19-11-13-37(2)14-12-19/h3-10,15-17,19H,1,11-14H2,2H3,(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 | 23 | 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)) | BDBM50177900
(CHEMBL3814957)Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1F |(6.08,-10.99,;6.39,-9.79,;7.87,-9.38,;8.25,-7.88,;7.15,-6.81,;5.67,-7.22,;5.29,-8.72,;7.42,-5.29,;6.35,-4.19,;7.09,-2.85,;8.59,-3.09,;8.81,-4.62,;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,;3.43,-5.54,;1.91,-5.34,;.97,-6.57,;1.57,-7.99,;2.79,-8.14,;.64,-9.21,;1.12,-10.35,;1.31,-3.92,;.09,-3.76,)| Show InChI InChI=1S/C29H28FN9O/c1-3-25(40)34-21-8-6-10-24(26(21)30)39-23-9-5-4-7-20(23)36-29(39)27-28(31)32-16-22(35-27)18-15-33-38(17-18)19-11-13-37(2)14-12-19/h3-10,15-17,19H,1,11-14H2,2H3,(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 | 26 | 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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