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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'nathanson' and Initial = 'da'   
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
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440172
PNG
(CHEMBL2426574)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)
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0.5n/an/an/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK (unknown origin) by steady-state kinetic assay


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440173
PNG
(CHEMBL2426573)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1
Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
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0.800n/an/an/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK (unknown origin) by steady-state kinetic assay


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440151
PNG
(CHEMBL2426558)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCF)c1
Show InChI InChI=1S/C20H24FN5O2S2/c1-3-4-16-13(11-29-20-25-17(22)10-18(23)26-20)24-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H4,22,23,25,26)
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1.5n/an/an/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK (unknown origin) by steady-state kinetic assay


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440140
PNG
(CHEMBL2426588)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)c(C)s1
Show InChI InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24)
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9.5n/an/an/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK (unknown origin) by steady-state kinetic assay


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440183
PNG
(CHEMBL2426563)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(F)c(OCCO)c1
Show InChI InChI=1S/C19H22FN5O2S2/c1-2-3-15-13(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-4-5-12(20)14(8-11)27-7-6-26/h4-5,8-9,26H,2-3,6-7,10H2,1H3,(H4,21,22,24,25)
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n/an/a 1.10n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440176
PNG
(CHEMBL2426570)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCO)c1
Show InChI InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25)
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n/an/a 1.20n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440173
PNG
(CHEMBL2426573)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1
Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
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n/an/a 1.40n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440177
PNG
(CHEMBL2426569)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCCO)c1
Show InChI InChI=1S/C21H27N5O3S2/c1-3-5-17-14(12-30-21-25-18(22)11-19(23)26-21)24-20(31-17)13-6-7-15(28-2)16(10-13)29-9-4-8-27/h6-7,10-11,27H,3-5,8-9,12H2,1-2H3,(H4,22,23,25,26)
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n/an/a 1.60n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440184
PNG
(CHEMBL2426562)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(OCCO)c1
Show InChI InChI=1S/C19H23N5O2S2/c1-2-4-15-14(11-27-19-23-16(20)10-17(21)24-19)22-18(28-15)12-5-3-6-13(9-12)26-8-7-25/h3,5-6,9-10,25H,2,4,7-8,11H2,1H3,(H4,20,21,23,24)
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n/an/a 2.5n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561511
PNG
(CHEMBL4743220)
Show SMILES Fc1c(Br)cccc1Nc1ncnc2cc3OCCOc3cc12
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440179
PNG
(CHEMBL2426567)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OCCO)c(OCCO)c1
Show InChI InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)
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n/an/a 2.60n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440182
PNG
(CHEMBL2426564)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(OCCO)c1
Show InChI InChI=1S/C19H22FN5O2S2/c1-2-3-15-14(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-6-12(20)8-13(7-11)27-5-4-26/h6-9,26H,2-5,10H2,1H3,(H4,21,22,24,25)
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n/an/a 2.80n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440175
PNG
(CHEMBL2426571)
Show SMILES CCCc1sc(nc1CSc1nccc(N)n1)-c1ccc(OC)c(OCCO)c1
Show InChI InChI=1S/C20H24N4O3S2/c1-3-4-17-14(12-28-20-22-8-7-18(21)24-20)23-19(29-17)13-5-6-15(26-2)16(11-13)27-10-9-25/h5-8,11,25H,3-4,9-10,12H2,1-2H3,(H2,21,22,24)
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n/an/a 2.90n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440174
PNG
(CHEMBL2426572)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)O)c1
Show InChI InChI=1S/C21H27N5O3S2/c1-4-5-17-14(11-30-21-25-18(22)9-19(23)26-21)24-20(31-17)13-6-7-15(28-3)16(8-13)29-10-12(2)27/h6-9,12,27H,4-5,10-11H2,1-3H3,(H4,22,23,25,26)
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n/an/a 2.90n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440151
PNG
(CHEMBL2426558)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCF)c1
Show InChI InChI=1S/C20H24FN5O2S2/c1-3-4-16-13(11-29-20-25-17(22)10-18(23)26-20)24-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H4,22,23,25,26)
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n/an/a 3n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440151
PNG
(CHEMBL2426558)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCF)c1
Show InChI InChI=1S/C20H24FN5O2S2/c1-3-4-16-13(11-29-20-25-17(22)10-18(23)26-20)24-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H4,22,23,25,26)
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n/an/a 3n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561510
PNG
(CHEMBL4744655)
Show SMILES Fc1c(Cl)cccc1Nc1ncnc2cc3OCCOc3cc12
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561511
PNG
(CHEMBL4743220)
Show SMILES Fc1c(Br)cccc1Nc1ncnc2cc3OCCOc3cc12
PDB
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561510
PNG
(CHEMBL4744655)
Show SMILES Fc1c(Cl)cccc1Nc1ncnc2cc3OCCOc3cc12
PDB
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440172
PNG
(CHEMBL2426574)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)
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n/an/a 4.90n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561521
PNG
(CHEMBL4783428)
Show SMILES Fc1cc(Br)c(F)c(Nc2ncnc3cc4OCCOc4cc23)c1
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561515
PNG
(CHEMBL4740063)
Show SMILES Clc1cccc(Nc2ncnc3cc4OCCOc4cc23)c1
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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561521
PNG
(CHEMBL4783428)
Show SMILES Fc1cc(Br)c(F)c(Nc2ncnc3cc4OCCOc4cc23)c1
PDB
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n/an/a 6.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440155
PNG
(CHEMBL2426598)
Show SMILES CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCF)c1
Show InChI InChI=1S/C19H22FN5O2S2/c1-3-15-12(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-4-5-13(26-2)14(8-11)27-7-6-20/h4-5,8-9H,3,6-7,10H2,1-2H3,(H4,21,22,24,25)
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n/an/a 7n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561524
PNG
(CHEMBL4791756)
Show SMILES Fc1ccc(Br)cc1Nc1ncnc2cc3OCCOc3cc12
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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440180
PNG
(CHEMBL2426566)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C20H25FN6O3S3/c1-3-4-16-15(11-31-20-26-17(22)10-18(23)27-20)25-19(32-16)12-7-13(21)9-14(8-12)30-6-5-24-33(2,28)29/h7-10,24H,3-6,11H2,1-2H3,(H4,22,23,26,27)
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n/an/a 8n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561515
PNG
(CHEMBL4740063)
Show SMILES Clc1cccc(Nc2ncnc3cc4OCCOc4cc23)c1
PDB
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n/an/a 8.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561512
PNG
(CHEMBL4759031)
Show SMILES Fc1c(I)cccc1Nc1ncnc2cc3OCCOc3cc12
PDB
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561525
PNG
(CHEMBL4786961)
Show SMILES Fc1ccc(Br)c(F)c1Nc1ncnc2cc3OCCOc3cc12
PDB
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440152
PNG
(CHEMBL2426557)
Show SMILES CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(F)c1
Show InChI InChI=1S/C16H16FN5S2/c1-2-12-11(8-23-16-21-13(18)7-14(19)22-16)20-15(24-12)9-4-3-5-10(17)6-9/h3-7H,2,8H2,1H3,(H4,18,19,21,22)
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n/an/a 11n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561524
PNG
(CHEMBL4791756)
Show SMILES Fc1ccc(Br)cc1Nc1ncnc2cc3OCCOc3cc12
PDB
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440181
PNG
(CHEMBL2426565)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)
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n/an/a 12n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561512
PNG
(CHEMBL4759031)
Show SMILES Fc1c(I)cccc1Nc1ncnc2cc3OCCOc3cc12
PDB
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561516
PNG
(CHEMBL1198370)
Show SMILES Brc1cccc(Nc2ncnc3cc4OCCOc4cc23)c1
PDB
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561519
PNG
(CHEMBL4762453)
Show SMILES Fc1c(Br)c(Cl)ccc1Nc1ncnc2cc3OCCOc3cc12
PDB
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561516
PNG
(CHEMBL1198370)
Show SMILES Brc1cccc(Nc2ncnc3cc4OCCOc4cc23)c1
PDB
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561518
PNG
(CHEMBL4793453)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCCOc4cc23)c(F)c1Br
PDB
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TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561525
PNG
(CHEMBL4786961)
Show SMILES Fc1ccc(Br)c(F)c1Nc1ncnc2cc3OCCOc3cc12
PDB
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440140
PNG
(CHEMBL2426588)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)c(C)s1
Show InChI InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24)
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n/an/a 18n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561526
PNG
(CHEMBL4749501)
Show SMILES Fc1cccc(Nc2ncnc3cc4OCCOc4cc23)c1F
PDB
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TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50440178
PNG
(CHEMBL2426568)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C18H21N5O2S2/c1-3-4-14-11(9-26-18-22-15(19)8-16(20)23-18)21-17(27-14)10-5-6-13(25-2)12(24)7-10/h5-8,24H,3-4,9H2,1-2H3,(H4,19,20,22,23)
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n/an/a 19n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)


Article DOI: 10.1021/jm400457y
BindingDB Entry DOI: 10.7270/Q2JS9RWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561508
PNG
(CHEMBL4750375)
Show SMILES Fc1c(Nc2ncnc3cc4OCCOc4cc23)cccc1C#C
PDB
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TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561508
PNG
(CHEMBL4750375)
Show SMILES Fc1c(Nc2ncnc3cc4OCCOc4cc23)cccc1C#C
PDB
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561520
PNG
(CHEMBL4794223)
Show SMILES Fc1c(Nc2ncnc3cc4OCCOc4cc23)ccc(Br)c1Br
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561509
PNG
(CHEMBL4743464)
Show SMILES Fc1c(Nc2ncnc3cc4OCCOc4cc23)cccc1C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561518
PNG
(CHEMBL4793453)
Show SMILES Fc1ccc(Nc2ncnc3cc4OCCOc4cc23)c(F)c1Br
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561514
PNG
(CHEMBL4778159)
Show SMILES N#Cc1cccc(Nc2ncnc3cc4OCCOc4cc23)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50561519
PNG
(CHEMBL4762453)
Show SMILES Fc1c(Br)c(Cl)ccc1Nc1ncnc2cc3OCCOc3cc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00599
BindingDB Entry DOI: 10.7270/Q2JD51G9
More data for this
Ligand-Target Pair
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