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Compile Data Set for Download or QSAR

Found 207 hits with Last Name = 'johnson' and Initial = 'gl'   
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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384584
PNG
(CHEMBL2036807 | US9744172, Compound UNC607A)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)|
Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26-
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0.560n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384583
PNG
(CHEMBL2036806)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)|
Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21-
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0.730n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384582
PNG
(CHEMBL2036805)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)|
Show InChI InChI=1S/C30H39N9/c31-25-11-8-23(9-12-25)21-39-29-26(20-35-30(36-29)33-14-4-7-22-5-2-1-3-6-22)28(37-39)24-10-13-27(34-19-24)38-17-15-32-16-18-38/h1-3,5-6,10,13,19-20,23,25,32H,4,7-9,11-12,14-18,21,31H2,(H,33,35,36)/t23-,25-
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384585
PNG
(CHEMBL2036809)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(-.82,-49.25,;.22,-48.11,;1.72,-48.43,;2.76,-47.29,;2.28,-45.83,;3.31,-44.69,;2.84,-43.22,;3.75,-41.97,;2.84,-40.71,;3.31,-39.25,;4.82,-38.93,;5.3,-37.47,;4.27,-36.32,;4.74,-34.86,;2.75,-36.65,;2.28,-38.11,;1.36,-41.19,;.03,-40.43,;-1.3,-41.2,;-1.3,-42.74,;-2.64,-43.51,;-3.97,-42.74,;-3.97,-41.2,;-5.3,-40.43,;-5.3,-38.89,;-3.96,-38.13,;-3.96,-36.59,;-5.29,-35.82,;-6.63,-36.59,;-6.63,-38.13,;.03,-43.51,;1.36,-42.74,;.78,-45.5,;-.25,-46.64,)|
Show InChI InChI=1S/C27H31FN6/c28-22-12-10-21(11-13-22)25-24-17-31-27(30-16-4-7-19-5-2-1-3-6-19)32-26(24)34(33-25)18-20-8-14-23(29)15-9-20/h1-3,5-6,10-13,17,20,23H,4,7-9,14-16,18,29H2,(H,30,31,32)/t20-,23-
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384581
PNG
(CHEMBL2036804)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.83,-18.78,;-8.83,-20.32,;-7.5,-21.09,;-7.5,-22.63,;-6.17,-23.41,;-4.83,-22.64,;-4.83,-21.09,;-3.5,-20.32,;-2.17,-21.08,;-.69,-20.61,;.22,-21.86,;-.69,-23.12,;-.22,-24.58,;-1.25,-25.72,;-.77,-27.18,;-1.81,-28.32,;-3.31,-28,;-4.35,-29.14,;-3.78,-26.53,;-2.76,-25.39,;-2.17,-22.64,;-3.5,-23.41,;-.22,-19.14,;-1.25,-18.01,;-.78,-16.54,;.73,-16.22,;1.77,-17.36,;1.29,-18.82,;1.2,-14.75,;2.71,-14.44,;3.19,-12.98,;2.16,-11.83,;.65,-12.15,;.17,-13.62,)|
Show InChI InChI=1S/C25H37N9/c1-2-3-10-28-25-30-16-21-23(19-6-9-22(29-15-19)33-13-11-27-12-14-33)32-34(24(21)31-25)17-18-4-7-20(26)8-5-18/h6,9,15-16,18,20,27H,2-5,7-8,10-14,17,26H2,1H3,(H,28,30,31)/t18-,20-
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2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1 |r,wU:13.12,wD:16.16,(54.06,-16.98,;54.06,-18.52,;55.39,-19.29,;55.39,-20.83,;56.72,-21.6,;58.06,-20.83,;58.06,-19.29,;59.39,-18.52,;60.72,-19.28,;62.2,-18.8,;63.11,-20.06,;62.2,-21.31,;62.67,-22.78,;61.64,-23.92,;62.12,-25.38,;61.08,-26.52,;59.58,-26.2,;58.54,-27.34,;59.11,-24.73,;60.14,-23.59,;60.72,-20.83,;59.39,-21.6,;62.67,-17.34,;64.18,-17.02,;64.66,-15.56,;63.63,-14.41,;64.1,-12.95,;62.11,-14.74,;61.64,-16.2,)|
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384584
PNG
(CHEMBL2036807 | US9744172, Compound UNC607A)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)|
Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26-
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n/an/a 0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384583
PNG
(CHEMBL2036806)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)|
Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21-
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n/an/a 0.25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50524283
PNG
(EXEL-7647 | KD-019 | KD-020 | KD019 | Tesevatinib ...)
Show SMILES [H][C@@]12C[C@H](COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5F)c4cc3OC)C[C@]1([H])CN(C)C2 |r|
Show InChI InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14-,15+
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n/an/a 0.300n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384582
PNG
(CHEMBL2036805)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)|
Show InChI InChI=1S/C30H39N9/c31-25-11-8-23(9-12-25)21-39-29-26(20-35-30(36-29)33-14-4-7-22-5-2-1-3-6-22)28(37-39)24-10-13-27(34-19-24)38-17-15-32-16-18-38/h1-3,5-6,10,13,19-20,23,25,32H,4,7-9,11-12,14-18,21,31H2,(H,33,35,36)/t23-,25-
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n/an/a 0.760n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384584
PNG
(CHEMBL2036807 | US9744172, Compound UNC607A)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)|
Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26-
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384581
PNG
(CHEMBL2036804)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.83,-18.78,;-8.83,-20.32,;-7.5,-21.09,;-7.5,-22.63,;-6.17,-23.41,;-4.83,-22.64,;-4.83,-21.09,;-3.5,-20.32,;-2.17,-21.08,;-.69,-20.61,;.22,-21.86,;-.69,-23.12,;-.22,-24.58,;-1.25,-25.72,;-.77,-27.18,;-1.81,-28.32,;-3.31,-28,;-4.35,-29.14,;-3.78,-26.53,;-2.76,-25.39,;-2.17,-22.64,;-3.5,-23.41,;-.22,-19.14,;-1.25,-18.01,;-.78,-16.54,;.73,-16.22,;1.77,-17.36,;1.29,-18.82,;1.2,-14.75,;2.71,-14.44,;3.19,-12.98,;2.16,-11.83,;.65,-12.15,;.17,-13.62,)|
Show InChI InChI=1S/C25H37N9/c1-2-3-10-28-25-30-16-21-23(19-6-9-22(29-15-19)33-13-11-27-12-14-33)32-34(24(21)31-25)17-18-4-7-20(26)8-5-18/h6,9,15-16,18,20,27H,2-5,7-8,10-14,17,26H2,1H3,(H,28,30,31)/t18-,20-
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM6503
PNG
(4-Anilino-3-cyanoquinoline deriv. 4 | 6,7-dimethox...)
Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc(OC)c1OC
Show InChI InChI=1S/C21H21N3O5/c1-25-16-8-14-15(9-17(16)26-2)23-11-12(10-22)20(14)24-13-6-18(27-3)21(29-5)19(7-13)28-4/h6-9,11H,1-5H3,(H,23,24)
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n/an/a 2.40n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1 |r,wU:13.12,wD:16.16,(54.06,-16.98,;54.06,-18.52,;55.39,-19.29,;55.39,-20.83,;56.72,-21.6,;58.06,-20.83,;58.06,-19.29,;59.39,-18.52,;60.72,-19.28,;62.2,-18.8,;63.11,-20.06,;62.2,-21.31,;62.67,-22.78,;61.64,-23.92,;62.12,-25.38,;61.08,-26.52,;59.58,-26.2,;58.54,-27.34,;59.11,-24.73,;60.14,-23.59,;60.72,-20.83,;59.39,-21.6,;62.67,-17.34,;64.18,-17.02,;64.66,-15.56,;63.63,-14.41,;64.1,-12.95,;62.11,-14.74,;61.64,-16.2,)|
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50384583
PNG
(CHEMBL2036806)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)|
Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21-
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n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384585
PNG
(CHEMBL2036809)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(-.82,-49.25,;.22,-48.11,;1.72,-48.43,;2.76,-47.29,;2.28,-45.83,;3.31,-44.69,;2.84,-43.22,;3.75,-41.97,;2.84,-40.71,;3.31,-39.25,;4.82,-38.93,;5.3,-37.47,;4.27,-36.32,;4.74,-34.86,;2.75,-36.65,;2.28,-38.11,;1.36,-41.19,;.03,-40.43,;-1.3,-41.2,;-1.3,-42.74,;-2.64,-43.51,;-3.97,-42.74,;-3.97,-41.2,;-5.3,-40.43,;-5.3,-38.89,;-3.96,-38.13,;-3.96,-36.59,;-5.29,-35.82,;-6.63,-36.59,;-6.63,-38.13,;.03,-43.51,;1.36,-42.74,;.78,-45.5,;-.25,-46.64,)|
Show InChI InChI=1S/C27H31FN6/c28-22-12-10-21(11-13-22)25-24-17-31-27(30-16-4-7-19-5-2-1-3-6-19)32-26(24)34(33-25)18-20-8-14-23(29)15-9-20/h1-3,5-6,10-13,17,20,23H,4,7-9,14-16,18,29H2,(H,30,31,32)/t20-,23-
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384582
PNG
(CHEMBL2036805)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)|
Show InChI InChI=1S/C30H39N9/c31-25-11-8-23(9-12-25)21-39-29-26(20-35-30(36-29)33-14-4-7-22-5-2-1-3-6-22)28(37-39)24-10-13-27(34-19-24)38-17-15-32-16-18-38/h1-3,5-6,10,13,19-20,23,25,32H,4,7-9,11-12,14-18,21,31H2,(H,33,35,36)/t23-,25-
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384583
PNG
(CHEMBL2036806)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)|
Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21-
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50437353
PNG
(CHEMBL2408045)
Show SMILES CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384602
PNG
(CHEMBL2036795 | US9744172, Compound UNC00000344A)
Show SMILES CCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(18.02,-41.5,;18.01,-43.04,;19.35,-43.81,;19.35,-45.35,;20.68,-46.13,;22.01,-45.36,;22.02,-43.81,;23.35,-43.04,;24.68,-43.81,;26.16,-43.33,;27.07,-44.58,;26.16,-45.84,;26.63,-47.3,;25.6,-48.44,;24.09,-48.11,;23.06,-49.25,;23.53,-50.72,;22.5,-51.86,;25.04,-51.04,;26.08,-49.9,;24.68,-45.36,;23.35,-46.13,;26.63,-41.86,;28.14,-41.54,;28.62,-40.08,;27.58,-38.94,;26.07,-39.26,;25.6,-40.73,)|
Show InChI InChI=1S/C22H30N6/c1-2-3-13-24-22-25-14-19-20(17-7-5-4-6-8-17)27-28(21(19)26-22)15-16-9-11-18(23)12-10-16/h4-8,14,16,18H,2-3,9-13,15,23H2,1H3,(H,24,25,26)
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n/an/a 5.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50384584
PNG
(CHEMBL2036807 | US9744172, Compound UNC607A)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)|
Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26-
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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384608
PNG
(CHEMBL2036801 | US9744172, Compound UNC00000471A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccccc4)nc23)CC1 |(19.2,-7.89,;20.24,-6.75,;19.77,-5.28,;20.8,-4.15,;22.3,-4.48,;23.33,-3.33,;22.86,-1.87,;23.77,-.61,;22.86,.64,;23.33,2.11,;24.84,2.42,;25.32,3.89,;24.29,5.03,;22.77,4.7,;22.3,3.24,;21.38,.16,;20.05,.93,;18.72,.16,;18.72,-1.39,;17.38,-2.16,;16.05,-1.39,;16.05,.15,;17.39,.91,;17.39,2.45,;16.06,3.22,;14.72,2.45,;14.72,.91,;20.05,-2.16,;21.38,-1.39,;22.78,-5.93,;21.74,-7.08,)|
Show InChI InChI=1S/C25H28N6/c26-21-13-11-19(12-14-21)17-31-24-22(23(30-31)20-9-5-2-6-10-20)16-28-25(29-24)27-15-18-7-3-1-4-8-18/h1-10,16,19,21H,11-15,17,26H2,(H,27,28,29)
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n/an/a 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384609
PNG
(CHEMBL2036802 | US9744172, Compound UNC00000546A)
Show SMILES COc1ccc(CNc2ncc3c(nn(CC4CCC(N)CC4)c3n2)-c2ccccc2)cc1 |(30.43,6.19,;29.1,5.42,;29.1,3.88,;30.43,3.11,;30.43,1.57,;29.09,.81,;29.09,-.73,;30.43,-1.5,;31.76,-.74,;31.76,.81,;33.09,1.58,;34.43,.82,;35.9,1.3,;36.81,.04,;35.9,-1.21,;36.38,-2.68,;35.35,-3.82,;33.84,-3.49,;32.81,-4.63,;33.28,-6.1,;32.24,-7.24,;34.79,-6.42,;35.83,-5.28,;34.43,-.74,;33.09,-1.51,;36.38,2.76,;37.88,3.08,;38.36,4.54,;37.33,5.69,;35.82,5.36,;35.35,3.9,;27.77,1.57,;27.76,3.1,)|
Show InChI InChI=1S/C26H30N6O/c1-33-22-13-9-18(10-14-22)15-28-26-29-16-23-24(20-5-3-2-4-6-20)31-32(25(23)30-26)17-19-7-11-21(27)12-8-19/h2-6,9-10,13-14,16,19,21H,7-8,11-12,15,17,27H2,1H3,(H,28,29,30)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384611
PNG
(CHEMBL2036787 | US9744172, Compound UNC00000573A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |(60.57,-5.96,;61.61,-4.81,;61.14,-3.35,;62.17,-2.21,;63.67,-2.54,;64.7,-1.4,;64.23,.07,;65.14,1.32,;64.23,2.58,;64.7,4.04,;66.21,4.36,;66.69,5.82,;65.66,6.97,;64.14,6.64,;63.67,5.18,;62.75,2.1,;61.42,2.86,;60.09,2.09,;60.09,.55,;58.75,-.22,;57.42,.55,;57.42,2.09,;56.09,2.86,;56.09,4.4,;57.43,5.17,;57.44,6.71,;56.1,7.48,;54.76,6.7,;54.77,5.17,;61.42,-.22,;62.75,.55,;64.15,-3.99,;63.11,-5.14,)|
Show InChI InChI=1S/C27H32N6/c28-23-15-13-21(14-16-23)19-33-26-24(25(32-33)22-11-5-2-6-12-22)18-30-27(31-26)29-17-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,18,21,23H,7,10,13-17,19,28H2,(H,29,30,31)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384581
PNG
(CHEMBL2036804)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.83,-18.78,;-8.83,-20.32,;-7.5,-21.09,;-7.5,-22.63,;-6.17,-23.41,;-4.83,-22.64,;-4.83,-21.09,;-3.5,-20.32,;-2.17,-21.08,;-.69,-20.61,;.22,-21.86,;-.69,-23.12,;-.22,-24.58,;-1.25,-25.72,;-.77,-27.18,;-1.81,-28.32,;-3.31,-28,;-4.35,-29.14,;-3.78,-26.53,;-2.76,-25.39,;-2.17,-22.64,;-3.5,-23.41,;-.22,-19.14,;-1.25,-18.01,;-.78,-16.54,;.73,-16.22,;1.77,-17.36,;1.29,-18.82,;1.2,-14.75,;2.71,-14.44,;3.19,-12.98,;2.16,-11.83,;.65,-12.15,;.17,-13.62,)|
Show InChI InChI=1S/C25H37N9/c1-2-3-10-28-25-30-16-21-23(19-6-9-22(29-15-19)33-13-11-27-12-14-33)32-34(24(21)31-25)17-18-4-7-20(26)8-5-18/h6,9,15-16,18,20,27H,2-5,7-8,10-14,17,26H2,1H3,(H,28,30,31)/t18-,20-
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384610
PNG
(CHEMBL2036803 | US9744172, Compound UNC00000472A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc23)CC1 |(46.58,-5.67,;47.62,-4.53,;47.15,-3.06,;48.18,-1.92,;49.69,-2.25,;50.72,-1.11,;50.24,.36,;51.15,1.61,;50.24,2.87,;50.71,4.33,;52.22,4.65,;52.7,6.11,;51.67,7.26,;50.15,6.93,;49.69,5.47,;48.76,2.39,;47.43,3.15,;46.1,2.38,;46.1,.84,;44.76,.07,;43.43,.84,;43.43,2.38,;42.1,3.15,;42.11,4.69,;40.78,5.46,;39.44,4.69,;39.44,3.14,;40.78,2.38,;47.43,.06,;48.76,.84,;50.16,-3.71,;49.13,-4.85,)|
Show InChI InChI=1S/C26H30N6/c27-22-13-11-20(12-14-22)18-32-25-23(24(31-32)21-9-5-2-6-10-21)17-29-26(30-25)28-16-15-19-7-3-1-4-8-19/h1-10,17,20,22H,11-16,18,27H2,(H,28,29,30)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384579
PNG
(CHEMBL2036794 | US9744172, Compound UNC00000343A)
Show SMILES CCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(4.32,-43.39,;5.65,-44.16,;5.65,-45.7,;6.98,-46.48,;8.32,-45.71,;8.32,-44.16,;9.65,-43.39,;10.98,-44.16,;12.46,-43.68,;13.37,-44.93,;12.46,-46.19,;12.94,-47.65,;11.91,-48.79,;10.4,-48.46,;9.37,-49.6,;9.84,-51.07,;8.8,-52.21,;11.34,-51.39,;12.38,-50.25,;10.98,-45.71,;9.65,-46.48,;12.93,-42.21,;14.44,-41.89,;14.92,-40.43,;13.89,-39.29,;12.37,-39.61,;11.91,-41.08,)|
Show InChI InChI=1S/C21H28N6/c1-2-12-23-21-24-13-18-19(16-6-4-3-5-7-16)26-27(20(18)25-21)14-15-8-10-17(22)11-9-15/h3-7,13,15,17H,2,8-12,14,22H2,1H3,(H,23,24,25)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50384581
PNG
(CHEMBL2036804)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.83,-18.78,;-8.83,-20.32,;-7.5,-21.09,;-7.5,-22.63,;-6.17,-23.41,;-4.83,-22.64,;-4.83,-21.09,;-3.5,-20.32,;-2.17,-21.08,;-.69,-20.61,;.22,-21.86,;-.69,-23.12,;-.22,-24.58,;-1.25,-25.72,;-.77,-27.18,;-1.81,-28.32,;-3.31,-28,;-4.35,-29.14,;-3.78,-26.53,;-2.76,-25.39,;-2.17,-22.64,;-3.5,-23.41,;-.22,-19.14,;-1.25,-18.01,;-.78,-16.54,;.73,-16.22,;1.77,-17.36,;1.29,-18.82,;1.2,-14.75,;2.71,-14.44,;3.19,-12.98,;2.16,-11.83,;.65,-12.15,;.17,-13.62,)|
Show InChI InChI=1S/C25H37N9/c1-2-3-10-28-25-30-16-21-23(19-6-9-22(29-15-19)33-13-11-27-12-14-33)32-34(24(21)31-25)17-18-4-7-20(26)8-5-18/h6,9,15-16,18,20,27H,2-5,7-8,10-14,17,26H2,1H3,(H,28,30,31)/t18-,20-
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384603
PNG
(CHEMBL2036796 | US9744172, Compound UNC00000463A)
Show SMILES CCCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(28.3,-45.79,;29.63,-46.56,;30.97,-45.8,;32.3,-46.57,;33.63,-45.8,;34.97,-46.57,;36.3,-45.8,;36.3,-44.26,;37.63,-43.48,;38.97,-44.25,;40.44,-43.77,;41.36,-45.02,;40.44,-46.28,;40.92,-47.74,;39.89,-48.89,;38.38,-48.56,;37.35,-49.69,;37.82,-51.16,;36.79,-52.3,;39.33,-51.49,;40.37,-50.34,;38.97,-45.8,;37.64,-46.57,;40.92,-42.3,;42.43,-41.99,;42.9,-40.53,;41.87,-39.38,;40.36,-39.71,;39.89,-41.17,)|
Show InChI InChI=1S/C23H32N6/c1-2-3-7-14-25-23-26-15-20-21(18-8-5-4-6-9-18)28-29(22(20)27-23)16-17-10-12-19(24)13-11-17/h4-6,8-9,15,17,19H,2-3,7,10-14,16,24H2,1H3,(H,25,26,27)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a<15n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a<15n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50524282
PNG
(CHEMBL4467033)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C23H19ClFN3O3/c1-29-21-10-17-19(11-22(21)30-2)26-13-27-23(17)28-16-6-7-20(18(24)9-16)31-12-14-4-3-5-15(25)8-14/h3-11,13H,12H2,1-2H3,(H,26,27,28)
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n/an/a<15n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384585
PNG
(CHEMBL2036809)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(-.82,-49.25,;.22,-48.11,;1.72,-48.43,;2.76,-47.29,;2.28,-45.83,;3.31,-44.69,;2.84,-43.22,;3.75,-41.97,;2.84,-40.71,;3.31,-39.25,;4.82,-38.93,;5.3,-37.47,;4.27,-36.32,;4.74,-34.86,;2.75,-36.65,;2.28,-38.11,;1.36,-41.19,;.03,-40.43,;-1.3,-41.2,;-1.3,-42.74,;-2.64,-43.51,;-3.97,-42.74,;-3.97,-41.2,;-5.3,-40.43,;-5.3,-38.89,;-3.96,-38.13,;-3.96,-36.59,;-5.29,-35.82,;-6.63,-36.59,;-6.63,-38.13,;.03,-43.51,;1.36,-42.74,;.78,-45.5,;-.25,-46.64,)|
Show InChI InChI=1S/C27H31FN6/c28-22-12-10-21(11-13-22)25-24-17-31-27(30-16-4-7-19-5-2-1-3-6-19)32-26(24)34(33-25)18-20-8-14-23(29)15-9-20/h1-3,5-6,10-13,17,20,23H,4,7-9,14-16,18,29H2,(H,30,31,32)/t20-,23-
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384600
PNG
(CHEMBL2036792 | US9744172, Compound UNC00000563A)
Show SMILES CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |(53.41,-28.01,;54.75,-28.78,;56.08,-28.01,;56.08,-26.46,;57.41,-25.69,;58.74,-26.46,;60.22,-25.98,;61.13,-27.23,;60.22,-28.49,;60.7,-29.95,;59.67,-31.09,;58.16,-30.76,;57.13,-31.9,;57.6,-33.37,;56.56,-34.51,;59.11,-33.69,;60.14,-32.55,;58.75,-28.01,;57.41,-28.78,;60.69,-24.51,;62.2,-24.2,;62.68,-22.74,;61.65,-21.59,;60.13,-21.92,;59.67,-23.38,;62.12,-20.13,;63.62,-19.81,;64.1,-18.35,;63.07,-17.2,;61.56,-17.52,;61.08,-18.99,)|
Show InChI InChI=1S/C23H32N8/c1-25-23-27-14-20-21(17-4-8-19(9-5-17)30-12-10-26-11-13-30)29-31(22(20)28-23)15-16-2-6-18(24)7-3-16/h4-5,8-9,14,16,18,26H,2-3,6-7,10-13,15,24H2,1H3,(H,25,27,28)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50384610
PNG
(CHEMBL2036803 | US9744172, Compound UNC00000472A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc23)CC1 |(46.58,-5.67,;47.62,-4.53,;47.15,-3.06,;48.18,-1.92,;49.69,-2.25,;50.72,-1.11,;50.24,.36,;51.15,1.61,;50.24,2.87,;50.71,4.33,;52.22,4.65,;52.7,6.11,;51.67,7.26,;50.15,6.93,;49.69,5.47,;48.76,2.39,;47.43,3.15,;46.1,2.38,;46.1,.84,;44.76,.07,;43.43,.84,;43.43,2.38,;42.1,3.15,;42.11,4.69,;40.78,5.46,;39.44,4.69,;39.44,3.14,;40.78,2.38,;47.43,.06,;48.76,.84,;50.16,-3.71,;49.13,-4.85,)|
Show InChI InChI=1S/C26H30N6/c27-22-13-11-20(12-14-22)18-32-25-23(24(31-32)21-9-5-2-6-10-21)17-29-26(30-25)28-16-15-19-7-3-1-4-8-19/h1-10,17,20,22H,11-16,18,27H2,(H,28,29,30)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50095259
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)
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n/an/a 19n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 21n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50384582
PNG
(CHEMBL2036805)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)|
Show InChI InChI=1S/C30H39N9/c31-25-11-8-23(9-12-25)21-39-29-26(20-35-30(36-29)33-14-4-7-22-5-2-1-3-6-22)28(37-39)24-10-13-27(34-19-24)38-17-15-32-16-18-38/h1-3,5-6,10,13,19-20,23,25,32H,4,7-9,11-12,14-18,21,31H2,(H,33,35,36)/t23-,25-
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM6511
PNG
(4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...)
Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
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n/an/a 23n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384594
PNG
(CHEMBL2036630 | US9744172, Compound UNC00000356A)
Show SMILES CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(OC)cc1 |(27.44,-11.39,;28.77,-12.16,;30.1,-11.4,;30.1,-9.85,;31.43,-9.08,;32.77,-9.84,;34.24,-9.36,;35.15,-10.62,;34.24,-11.87,;34.72,-13.34,;33.69,-14.48,;32.18,-14.15,;31.15,-15.29,;31.62,-16.76,;30.59,-17.9,;33.13,-17.08,;34.17,-15.94,;32.77,-11.4,;31.44,-12.17,;34.72,-7.9,;36.23,-7.58,;36.7,-6.12,;35.67,-4.98,;36.14,-3.51,;37.65,-3.19,;34.16,-5.3,;33.69,-6.77,)|
Show InChI InChI=1S/C20H26N6O/c1-22-20-23-11-17-18(14-5-9-16(27-2)10-6-14)25-26(19(17)24-20)12-13-3-7-15(21)8-4-13/h5-6,9-11,13,15H,3-4,7-8,12,21H2,1-2H3,(H,22,23,24)
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
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 30n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-G-associated kinase


(Homo sapiens (Human))
BDBM50524281
PNG
(CHEMBL4440586)
Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C20H15N3O2/c1-4-13-6-5-7-15(8-13)23-20-14(11-21)12-22-17-10-19(25-3)18(24-2)9-16(17)20/h1,5-10,12H,2-3H3,(H,22,23)
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n/an/a 31n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384594
PNG
(CHEMBL2036630 | US9744172, Compound UNC00000356A)
Show SMILES CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(OC)cc1 |(27.44,-11.39,;28.77,-12.16,;30.1,-11.4,;30.1,-9.85,;31.43,-9.08,;32.77,-9.84,;34.24,-9.36,;35.15,-10.62,;34.24,-11.87,;34.72,-13.34,;33.69,-14.48,;32.18,-14.15,;31.15,-15.29,;31.62,-16.76,;30.59,-17.9,;33.13,-17.08,;34.17,-15.94,;32.77,-11.4,;31.44,-12.17,;34.72,-7.9,;36.23,-7.58,;36.7,-6.12,;35.67,-4.98,;36.14,-3.51,;37.65,-3.19,;34.16,-5.3,;33.69,-6.77,)|
Show InChI InChI=1S/C20H26N6O/c1-22-20-23-11-17-18(14-5-9-16(27-2)10-6-14)25-26(19(17)24-20)12-13-3-7-15(21)8-4-13/h5-6,9-11,13,15H,3-4,7-8,12,21H2,1-2H3,(H,22,23,24)
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n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1 |r,wU:13.12,wD:16.16,(54.06,-16.98,;54.06,-18.52,;55.39,-19.29,;55.39,-20.83,;56.72,-21.6,;58.06,-20.83,;58.06,-19.29,;59.39,-18.52,;60.72,-19.28,;62.2,-18.8,;63.11,-20.06,;62.2,-21.31,;62.67,-22.78,;61.64,-23.92,;62.12,-25.38,;61.08,-26.52,;59.58,-26.2,;58.54,-27.34,;59.11,-24.73,;60.14,-23.59,;60.72,-20.83,;59.39,-21.6,;62.67,-17.34,;64.18,-17.02,;64.66,-15.56,;63.63,-14.41,;64.1,-12.95,;62.11,-14.74,;61.64,-16.2,)|
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384611
PNG
(CHEMBL2036787 | US9744172, Compound UNC00000573A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |(60.57,-5.96,;61.61,-4.81,;61.14,-3.35,;62.17,-2.21,;63.67,-2.54,;64.7,-1.4,;64.23,.07,;65.14,1.32,;64.23,2.58,;64.7,4.04,;66.21,4.36,;66.69,5.82,;65.66,6.97,;64.14,6.64,;63.67,5.18,;62.75,2.1,;61.42,2.86,;60.09,2.09,;60.09,.55,;58.75,-.22,;57.42,.55,;57.42,2.09,;56.09,2.86,;56.09,4.4,;57.43,5.17,;57.44,6.71,;56.1,7.48,;54.76,6.7,;54.77,5.17,;61.42,-.22,;62.75,.55,;64.15,-3.99,;63.11,-5.14,)|
Show InChI InChI=1S/C27H32N6/c28-23-15-13-21(14-16-23)19-33-26-24(25(32-33)22-11-5-2-6-12-22)18-30-27(31-26)29-17-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,18,21,23H,7,10,13-17,19,28H2,(H,29,30,31)
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384608
PNG
(CHEMBL2036801 | US9744172, Compound UNC00000471A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccccc4)nc23)CC1 |(19.2,-7.89,;20.24,-6.75,;19.77,-5.28,;20.8,-4.15,;22.3,-4.48,;23.33,-3.33,;22.86,-1.87,;23.77,-.61,;22.86,.64,;23.33,2.11,;24.84,2.42,;25.32,3.89,;24.29,5.03,;22.77,4.7,;22.3,3.24,;21.38,.16,;20.05,.93,;18.72,.16,;18.72,-1.39,;17.38,-2.16,;16.05,-1.39,;16.05,.15,;17.39,.91,;17.39,2.45,;16.06,3.22,;14.72,2.45,;14.72,.91,;20.05,-2.16,;21.38,-1.39,;22.78,-5.93,;21.74,-7.08,)|
Show InChI InChI=1S/C25H28N6/c26-21-13-11-19(12-14-21)17-31-24-22(23(30-31)20-9-5-2-6-10-20)16-28-25(29-24)27-15-18-7-3-1-4-8-18/h1-10,16,19,21H,11-15,17,26H2,(H,27,28,29)
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM31090
PNG
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
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n/an/a 39n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50384610
PNG
(CHEMBL2036803 | US9744172, Compound UNC00000472A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc23)CC1 |(46.58,-5.67,;47.62,-4.53,;47.15,-3.06,;48.18,-1.92,;49.69,-2.25,;50.72,-1.11,;50.24,.36,;51.15,1.61,;50.24,2.87,;50.71,4.33,;52.22,4.65,;52.7,6.11,;51.67,7.26,;50.15,6.93,;49.69,5.47,;48.76,2.39,;47.43,3.15,;46.1,2.38,;46.1,.84,;44.76,.07,;43.43,.84,;43.43,2.38,;42.1,3.15,;42.11,4.69,;40.78,5.46,;39.44,4.69,;39.44,3.14,;40.78,2.38,;47.43,.06,;48.76,.84,;50.16,-3.71,;49.13,-4.85,)|
Show InChI InChI=1S/C26H30N6/c27-22-13-11-20(12-14-22)18-32-25-23(24(31-32)21-9-5-2-6-10-21)17-29-26(30-25)28-16-15-19-7-3-1-4-8-19/h1-10,17,20,22H,11-16,18,27H2,(H,28,29,30)
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50314989
PNG
(CHEMBL1092250 | N-(3-Ethynylphenyl)-6,7-dimethoxyq...)
Show SMILES COc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C19H16N2O2/c1-4-13-6-5-7-14(10-13)21-16-8-9-20-17-12-19(23-3)18(22-2)11-15(16)17/h1,5-12H,2-3H3,(H,20,21)
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n/an/a 42n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
More data for this
Ligand-Target Pair
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