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SMILES: CCN1CCC(CC1)n1cc(nn1)[C@@H](Nc1cc(Cl)c2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccccc1

InChI Key: InChIKey=BGNGGPVTCBTSPQ-NDEPHWFRSA-N

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 = 270598   
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))
BDBM270598
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)c1ccccc1 |r|
Show InChI InChI=1S/C30H29Cl2FN8/c1-2-40-12-10-22(11-13-40)41-17-27(38-39-41)28(19-6-4-3-5-7-19)36-21-14-23-29(25(32)16-21)34-18-35-30(23)37-20-8-9-26(33)24(31)15-20/h3-9,14-18,22,28,36H,2,10-13H2,1H3,(H,34,35,37)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.90n/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))
BDBM270598
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)c1ccccc1 |r|
Show InChI InChI=1S/C30H29Cl2FN8/c1-2-40-12-10-22(11-13-40)41-17-27(38-39-41)28(19-6-4-3-5-7-19)36-21-14-23-29(25(32)16-21)34-18-35-30(23)37-20-8-9-26(33)24(31)15-20/h3-9,14-18,22,28,36H,2,10-13H2,1H3,(H,34,35,37)/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 254n/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))
BDBM270598
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)c1ccccc1 |r|
Show InChI InChI=1S/C30H29Cl2FN8/c1-2-40-12-10-22(11-13-40)41-17-27(38-39-41)28(19-6-4-3-5-7-19)36-21-14-23-29(25(32)16-21)34-18-35-30(23)37-20-8-9-26(33)24(31)15-20/h3-9,14-18,22,28,36H,2,10-13H2,1H3,(H,34,35,37)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.90n/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))
BDBM270598
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)c1ccccc1 |r|
Show InChI InChI=1S/C30H29Cl2FN8/c1-2-40-12-10-22(11-13-40)41-17-27(38-39-41)28(19-6-4-3-5-7-19)36-21-14-23-29(25(32)16-21)34-18-35-30(23)37-20-8-9-26(33)24(31)15-20/h3-9,14-18,22,28,36H,2,10-13H2,1H3,(H,34,35,37)/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 254n/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