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Patent code US9388160

Compile Data Set for Download or QSAR
Found 4 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 [668-1210]


(Homo sapiens (Human))		BDBM50123162
PNG
(CHEMBL3622673 | US9388160, 11)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C27H29N5O2/c1-3-20-10-8-11-21(16-20)30-27-22-17-24(25(34-4-2)18-23(22)28-19-29-27)31-26(33)12-9-15-32-13-6-5-7-14-32/h1,8-12,16-19H,4-7,13-15H2,2H3,(H,31,33)(H,28,29,30)/b12-9+
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.70n/an/an/an/a7.430



Teligene Ltd

US Patent


Assay Description
The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). The compounds were diluted in 10% DMSO and 5 μl of the dilu...

US Patent US9388160 (2016)


BindingDB Entry DOI: 10.7270/Q2T152J9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [668-1210]


(Homo sapiens (Human))		BDBM50123162
PNG
(CHEMBL3622673 | US9388160, 11)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C27H29N5O2/c1-3-20-10-8-11-21(16-20)30-27-22-17-24(25(34-4-2)18-23(22)28-19-29-27)31-26(33)12-9-15-32-13-6-5-7-14-32/h1,8-12,16-19H,4-7,13-15H2,2H3,(H,31,33)(H,28,29,30)/b12-9+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a<10n/an/an/an/a7.430



Teligene Ltd

US Patent


Assay Description
The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). The compounds were diluted in 10% DMSO and 5 μl of the dilu...

US Patent US9388160 (2016)


BindingDB Entry DOI: 10.7270/Q2T152J9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R]


(Homo sapiens (Human))		BDBM50123163
PNG
(CHEMBL3622672 | US9388160, 12)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C26H27N5O2/c1-3-19-9-7-10-20(15-19)29-26-21-16-23(24(33-2)17-22(21)27-18-28-26)30-25(32)11-8-14-31-12-5-4-6-13-31/h1,7-11,15-18H,4-6,12-14H2,2H3,(H,30,32)(H,27,28,29)/b11-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 22n/an/an/an/a7.430



Teligene Ltd

US Patent


Assay Description
The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). The compounds were diluted in 10% DMSO and 5 μl of the dilu...

US Patent US9388160 (2016)


BindingDB Entry DOI: 10.7270/Q2T152J9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [668-1210,T790M,L858R]


(Homo sapiens (Human))		BDBM50123163
PNG
(CHEMBL3622672 | US9388160, 12)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C26H27N5O2/c1-3-19-9-7-10-20(15-19)29-26-21-16-23(24(33-2)17-22(21)27-18-28-26)30-25(32)11-8-14-31-12-5-4-6-13-31/h1,7-11,15-18H,4-6,12-14H2,2H3,(H,30,32)(H,27,28,29)/b11-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a<100n/an/an/an/a7.430



Teligene Ltd

US Patent


Assay Description
The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). The compounds were diluted in 10% DMSO and 5 μl of the dilu...

US Patent US9388160 (2016)


BindingDB Entry DOI: 10.7270/Q2T152J9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%