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BDBM270586 (S)-N6- (benzo[d]thiazol-7- yl(1-(1- (trifluoromethyl) cyclopropyl)-1H-1,2,3- triazol-4-yl)methyl)- 8-bromo-N4- neopentylquinazoline- 4,6-diamine::US10059695, I-18::US10577352, Compound I-18

SMILES: CC(C)(C)CNc1ncnc2c(Br)cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12

InChI Key: InChIKey=LWKBAGGIOZPLOK-QFIPXVFZSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 270586   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270586
PNG
((S)-N6- (benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12 |r|
Show InChI InChI=1S/C27H26BrF3N8S/c1-25(2,3)12-32-24-17-9-15(10-18(28)21(17)33-13-34-24)36-22(16-5-4-6-19-23(16)40-14-35-19)20-11-39(38-37-20)26(7-8-26)27(29,30)31/h4-6,9-11,13-14,22,36H,7-8,12H2,1-3H3,(H,32,33,34)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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))
BDBM270586
PNG
((S)-N6- (benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12 |r|
Show InChI InChI=1S/C27H26BrF3N8S/c1-25(2,3)12-32-24-17-9-15(10-18(28)21(17)33-13-34-24)36-22(16-5-4-6-19-23(16)40-14-35-19)20-11-39(38-37-20)26(7-8-26)27(29,30)31/h4-6,9-11,13-14,22,36H,7-8,12H2,1-3H3,(H,32,33,34)/t22-/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 195n/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))
BDBM270586
PNG
((S)-N6- (benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12 |r|
Show InChI InChI=1S/C27H26BrF3N8S/c1-25(2,3)12-32-24-17-9-15(10-18(28)21(17)33-13-34-24)36-22(16-5-4-6-19-23(16)40-14-35-19)20-11-39(38-37-20)26(7-8-26)27(29,30)31/h4-6,9-11,13-14,22,36H,7-8,12H2,1-3H3,(H,32,33,34)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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))
BDBM270586
PNG
((S)-N6- (benzo[d]thiazol-7- yl(1-(1- (trifluoromet...)
Show SMILES CC(C)(C)CNc1ncnc2c(Br)cc(N[C@H](c3cn(nn3)C3(CC3)C(F)(F)F)c3cccc4ncsc34)cc12 |r|
Show InChI InChI=1S/C27H26BrF3N8S/c1-25(2,3)12-32-24-17-9-15(10-18(28)21(17)33-13-34-24)36-22(16-5-4-6-19-23(16)40-14-35-19)20-11-39(38-37-20)26(7-8-26)27(29,30)31/h4-6,9-11,13-14,22,36H,7-8,12H2,1-3H3,(H,32,33,34)/t22-/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 195n/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