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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM270604'   
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))
BDBM270604
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- ((...)
Show SMILES CCN1CCC(CC1)n1cc(nn1)[C@@H](Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H28Cl3FN8/c1-2-41-11-9-22(10-12-41)42-16-27(39-40-42)28(18-3-5-19(31)6-4-18)37-21-13-23-29(25(33)15-21)35-17-36-30(23)38-20-7-8-26(34)24(32)14-20/h3-8,13-17,22,28,37H,2,9-12H2,1H3,(H,35,36,38)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10577352 (2020)


BindingDB Entry DOI: 10.7270/Q20P12D3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270604
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- ((...)
Show SMILES CCN1CCC(CC1)n1cc(nn1)[C@@H](Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H28Cl3FN8/c1-2-41-11-9-22(10-12-41)42-16-27(39-40-42)28(18-3-5-19(31)6-4-18)37-21-13-23-29(25(33)15-21)35-17-36-30(23)38-20-7-8-26(34)24(32)14-20/h3-8,13-17,22,28,37H,2,9-12H2,1H3,(H,35,36,38)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270604
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- ((...)
Show SMILES CCN1CCC(CC1)n1cc(nn1)[C@@H](Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H28Cl3FN8/c1-2-41-11-9-22(10-12-41)42-16-27(39-40-42)28(18-3-5-19(31)6-4-18)37-21-13-23-29(25(33)15-21)35-17-36-30(23)38-20-7-8-26(34)24(32)14-20/h3-8,13-17,22,28,37H,2,9-12H2,1H3,(H,35,36,38)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 527n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10577352 (2020)


BindingDB Entry DOI: 10.7270/Q20P12D3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270604
PNG
((S)-8-chloro-N4-(3- chloro-4- fluorophenyl)-N6- ((...)
Show SMILES CCN1CCC(CC1)n1cc(nn1)[C@@H](Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H28Cl3FN8/c1-2-41-11-9-22(10-12-41)42-16-27(39-40-42)28(18-3-5-19(31)6-4-18)37-21-13-23-29(25(33)15-21)35-17-36-30(23)38-20-7-8-26(34)24(32)14-20/h3-8,13-17,22,28,37H,2,9-12H2,1H3,(H,35,36,38)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 527n/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair