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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 = 'BDBM270585'   
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))
BDBM270585
PNG
((S)-6- ((benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12)C#N |r|
Show InChI InChI=1S/C28H26F3N9S/c1-26(2,3)13-33-25-19-10-17(9-16(11-32)22(19)34-14-35-25)37-23(18-5-4-6-20-24(18)41-15-36-20)21-12-40(39-38-21)27(7-8-27)28(29,30)31/h4-6,9-10,12,14-15,23,37H,7-8,13H2,1-3H3,(H,33,34,35)/t23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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))
BDBM270585
PNG
((S)-6- ((benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12)C#N |r|
Show InChI InChI=1S/C28H26F3N9S/c1-26(2,3)13-33-25-19-10-17(9-16(11-32)22(19)34-14-35-25)37-23(18-5-4-6-20-24(18)41-15-36-20)21-12-40(39-38-21)27(7-8-27)28(29,30)31/h4-6,9-10,12,14-15,23,37H,7-8,13H2,1-3H3,(H,33,34,35)/t23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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))
BDBM270585
PNG
((S)-6- ((benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12)C#N |r|
Show InChI InChI=1S/C28H26F3N9S/c1-26(2,3)13-33-25-19-10-17(9-16(11-32)22(19)34-14-35-25)37-23(18-5-4-6-20-24(18)41-15-36-20)21-12-40(39-38-21)27(7-8-27)28(29,30)31/h4-6,9-10,12,14-15,23,37H,7-8,13H2,1-3H3,(H,33,34,35)/t23-/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 59n/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))
BDBM270585
PNG
((S)-6- ((benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12)C#N |r|
Show InChI InChI=1S/C28H26F3N9S/c1-26(2,3)13-33-25-19-10-17(9-16(11-32)22(19)34-14-35-25)37-23(18-5-4-6-20-24(18)41-15-36-20)21-12-40(39-38-21)27(7-8-27)28(29,30)31/h4-6,9-10,12,14-15,23,37H,7-8,13H2,1-3H3,(H,33,34,35)/t23-/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 59n/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