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PubMed code 26191356

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50112177
PNG
(CHEMBL3608433)
Show SMILES COc1nn(cc1Nc1nc(nc2n(cnc12)C(C)C)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C)C1CCN(C)C1
Show InChI InChI=1S/C24H33FN10O2/c1-6-19(36)27-17-11-33(10-16(17)25)24-29-21(20-22(30-24)34(13-26-20)14(2)3)28-18-12-35(31-23(18)37-5)15-7-8-32(4)9-15/h6,12-17H,1,7-11H2,2-5H3,(H,27,36)(H,28,29,30)/t15?,16-,17-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 142n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR in human A549 cells assessed as inhibition of phosphorylation at Y1068 after 2 hrs by sandwich ELISA method


ACS Med Chem Lett 6: 732-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00231
BindingDB Entry DOI: 10.7270/Q2ZC84PR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50112173
PNG
(CHEMBL3608429)
Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C
Show InChI InChI=1S/C19H24FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h5-7,10-11,13-14H,1,8-9H2,2-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1
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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 178n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR in human A549 cells assessed as inhibition of phosphorylation at Y1068 after 2 hrs by sandwich ELISA method


ACS Med Chem Lett 6: 732-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00231
BindingDB Entry DOI: 10.7270/Q2ZC84PR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50112174
PNG
(CHEMBL3608430)
Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)N3CCN(C)CC3)nc(nc12)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C=C
Show InChI InChI=1S/C28H37N9O/c1-5-24(38)35-14-20-16-36(17-21(20)15-35)28-31-26(25-27(32-28)37(18-29-25)19(2)3)30-22-6-8-23(9-7-22)34-12-10-33(4)11-13-34/h5-9,18-21H,1,10-17H2,2-4H3,(H,30,31,32)/t20-,21+
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UniChem

Similars

Article
PubMed
n/an/a 181n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR in human A549 cells assessed as inhibition of phosphorylation at Y1068 after 2 hrs by sandwich ELISA method


ACS Med Chem Lett 6: 732-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00231
BindingDB Entry DOI: 10.7270/Q2ZC84PR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50112178
PNG
(CHEMBL3608434)
Show SMILES CCn1cc(Nc2nc(nc3n(C)cnc23)N2C[C@@H](F)[C@@H](C2)NC(=O)C=C)c(OC)n1
Show InChI InChI=1S/C19H24FN9O2/c1-5-14(30)22-12-8-28(7-11(12)20)19-24-16(15-17(25-19)27(3)10-21-15)23-13-9-29(6-2)26-18(13)31-4/h5,9-12H,1,6-8H2,2-4H3,(H,22,30)(H,23,24,25)/t11-,12-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 194n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR in human A549 cells assessed as inhibition of phosphorylation at Y1068 after 2 hrs by sandwich ELISA method


ACS Med Chem Lett 6: 732-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00231
BindingDB Entry DOI: 10.7270/Q2ZC84PR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50112175
PNG
(CHEMBL3608431)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(nc3n(CCO)cnc23)N2CC[C@@H](C2)NC(=O)C=C)cc1
Show InChI InChI=1S/C25H33N9O2/c1-3-21(36)27-19-8-9-33(16-19)25-29-23(22-24(30-25)34(14-15-35)17-26-22)28-18-4-6-20(7-5-18)32-12-10-31(2)11-13-32/h3-7,17,19,35H,1,8-16H2,2H3,(H,27,36)(H,28,29,30)/t19-/m0/s1
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 4.19E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR in human A549 cells assessed as inhibition of phosphorylation at Y1068 after 2 hrs by sandwich ELISA method


ACS Med Chem Lett 6: 732-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00231
BindingDB Entry DOI: 10.7270/Q2ZC84PR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50112176
PNG
(CHEMBL3608432)
Show SMILES CC(C)n1cnc2c(Nc3cn(C)nc3C)nc(nc12)N1C[C@@H](F)[C@@H](C1)NC(=O)C=C
Show InChI InChI=1S/C20H26FN9O/c1-6-16(31)23-15-9-29(7-13(15)21)20-25-18(24-14-8-28(5)27-12(14)4)17-19(26-20)30(10-22-17)11(2)3/h6,8,10-11,13,15H,1,7,9H2,2-5H3,(H,23,31)(H,24,25,26)/t13-,15-/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR in human A549 cells assessed as inhibition of phosphorylation at Y1068 after 2 hrs by sandwich ELISA method


ACS Med Chem Lett 6: 732-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00231
BindingDB Entry DOI: 10.7270/Q2ZC84PR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%