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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'fauvel' and Initial = 'b'   
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 ABL1


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 6n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant wild type ABL expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 10n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged human recombinant BRAF V600E mutant expressed in baculovirus using Fluorescein-MAP2K1 as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 15n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR (668 to1210 residues) expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 22n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant HCK expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 37n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant LYNA expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 40n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of full length His-tagged human recombinant cSRC expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 44n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant YES expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 46n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant ABL G250E mutant expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 50n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged human recombinant PDGFRalpha expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 51n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant ABL Y253F mutant expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 62n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human recombinant FRK expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 69n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant LCK expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 73n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant ABL E255K mutant expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234336
PNG
(CHEMBL4093667)
Show SMILES OC(=O)c1ccc(-c2c[nH]c3ncc(cc23)-c2ccccc2)c(F)c1
Show InChI InChI=1S/C20H13FN2O2/c21-18-9-13(20(24)25)6-7-15(18)17-11-23-19-16(17)8-14(10-22-19)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
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n/an/a 111n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/a 112n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR T790M mutant (668 to 1210 residues) expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234329
PNG
(CHEMBL4083405)
Show SMILES OC(=O)c1ccc(cc1F)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H13FN2O2/c21-18-9-13(6-7-15(18)20(24)25)17-11-23-19-16(17)8-14(10-22-19)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
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n/an/a 118n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant FYN expressed in baculovirus using Fluorescein-Poly GT as substrate

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50296003
PNG
(4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic ...)
Show SMILES OC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24)
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n/an/a 182n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234330
PNG
(CHEMBL4101393)
Show SMILES OC(=O)c1cc(F)cc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H13FN2O2/c21-16-7-13(6-14(8-16)20(24)25)18-11-23-19-17(18)9-15(10-22-19)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
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n/an/a 340n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50296008
PNG
(3-(4-(1H-tetrazol-5-yl)phenyl)-5-phenyl-1H-pyrrolo...)
Show SMILES c1[nH]c2ncc(cc2c1-c1ccc(cc1)-c1nnn[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H14N6/c1-2-4-13(5-3-1)16-10-17-18(12-22-20(17)21-11-16)14-6-8-15(9-7-14)19-23-25-26-24-19/h1-12H,(H,21,22)(H,23,24,25,26)
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n/an/a 524n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234326
PNG
(CHEMBL4102305)
Show SMILES OC(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)15-8-4-7-14(9-15)18-12-22-19-17(18)10-16(11-21-19)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)
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n/an/a 896n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234337
PNG
(CHEMBL4102893)
Show SMILES OC(=O)c1cc(ccc1F)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H13FN2O2/c21-18-7-6-13(8-16(18)20(24)25)17-11-23-19-15(17)9-14(10-22-19)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234332
PNG
(CHEMBL4079544)
Show SMILES COC(=O)c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-19-15(18)13-9-17-14-12(13)7-11(8-16-14)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
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n/an/a 1.10E+3n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234320
PNG
(CHEMBL4103803)
Show SMILES COC(=O)c1c[nH]c2ncc(cc12)-c1ccncc1
Show InChI InChI=1S/C14H11N3O2/c1-19-14(18)12-8-17-13-11(12)6-10(7-16-13)9-2-4-15-5-3-9/h2-8H,1H3,(H,16,17)
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n/an/a 1.80E+3n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234328
PNG
(CHEMBL4072966)
Show SMILES OC(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)15-8-6-13(7-9-15)16-10-17-18(12-22-19(17)21-11-16)14-4-2-1-3-5-14/h1-12H,(H,21,22)(H,23,24)
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n/an/a 1.94E+3n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234322
PNG
(CHEMBL4096050)
Show SMILES COC(=O)c1c[nH]c2ncc(cc12)-c1ccsc1
Show InChI InChI=1S/C13H10N2O2S/c1-17-13(16)11-6-15-12-10(11)4-9(5-14-12)8-2-3-18-7-8/h2-7H,1H3,(H,14,15)
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n/an/a 2.20E+3n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234321
PNG
(CHEMBL4068740)
Show SMILES COC(=O)c1c[nH]c2ncc(cc12)-c1ccccn1
Show InChI InChI=1S/C14H11N3O2/c1-19-14(18)11-8-17-13-10(11)6-9(7-16-13)12-4-2-3-5-15-12/h2-8H,1H3,(H,16,17)
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n/an/a 2.40E+3n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234325
PNG
(CHEMBL4092680)
Show SMILES O=Cc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H14N2O/c23-13-14-5-4-8-16(9-14)19-12-22-20-18(19)10-17(11-21-20)15-6-2-1-3-7-15/h1-13H,(H,21,22)
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n/an/a 3.45E+3n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50445250
PNG
(CHEMBL3102859)
Show SMILES c1[nH]c2ncc(cc2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H14N2/c1-3-7-14(8-4-1)16-11-17-18(13-21-19(17)20-12-16)15-9-5-2-6-10-15/h1-13H,(H,20,21)
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n/an/a 4.06E+3n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234333
PNG
(CHEMBL4095116)
Show SMILES COC(=O)c1c[nH]c2ncc(cc12)-c1ccco1
Show InChI InChI=1S/C13H10N2O3/c1-17-13(16)10-7-15-12-9(10)5-8(6-14-12)11-3-2-4-18-11/h2-7H,1H3,(H,14,15)
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n/an/a 6.50E+3n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234319
PNG
(CHEMBL4100172)
Show SMILES COC(=O)c1cc2cc(cnc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C14H11N3O2/c1-19-14(18)12-7-10-6-11(8-16-13(10)17-12)9-2-4-15-5-3-9/h2-8H,1H3,(H,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234323
PNG
(CHEMBL4087427)
Show SMILES O=C(Nc1ccccc1)c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-20(23-16-9-5-2-6-10-16)18-13-22-19-17(18)11-15(12-21-19)14-7-3-1-4-8-14/h1-13H,(H,21,22)(H,23,24)
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OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234324
PNG
(CHEMBL4064994)
Show SMILES COC(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2/c1-25-21(24)16-9-5-8-15(10-16)19-13-23-20-18(19)11-17(12-22-20)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,23)
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OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234318
PNG
(CHEMBL4091294)
Show SMILES c1cc2cc(cnc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C13H10N2/c1-2-4-10(5-3-1)12-8-11-6-7-14-13(11)15-9-12/h1-9H,(H,14,15)
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OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234316
PNG
(CHEMBL2391621)
Show SMILES COC(=O)c1c[nH]c2ncccc12
Show InChI InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-6(7)3-2-4-10-8/h2-5H,1H3,(H,10,11)
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n/an/a>1.00E+4n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234331
PNG
(CHEMBL4061976)
Show SMILES O=C(Nc1cc[nH]n1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C11H9N5O/c17-11(15-9-3-5-14-16-9)8-6-13-10-7(8)2-1-4-12-10/h1-6H,(H,12,13)(H2,14,15,16,17)
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OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234317
PNG
(CHEMBL4090019)
Show SMILES O=C(Nc1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C13H10N4O/c18-13(17-9-3-1-5-14-7-9)11-8-16-12-10(11)4-2-6-15-12/h1-8H,(H,15,16)(H,17,18)
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OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234335
PNG
(CHEMBL4066045)
Show SMILES C(Nc1cccnc1)c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H16N4/c1-2-5-14(6-3-1)15-9-18-16(12-23-19(18)22-10-15)11-21-17-7-4-8-20-13-17/h1-10,12-13,21H,11H2,(H,22,23)
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OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234315
PNG
(CHEMBL4097745)
Show SMILES COC(=O)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C9H8N2O2/c1-13-9(12)7-5-6-3-2-4-10-8(6)11-7/h2-5H,1H3,(H,10,11)
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n/an/a>1.00E+4n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50234327
PNG
(CHEMBL4085916)
Show SMILES OC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)15-8-4-7-14(9-15)16-10-17-18(12-22-19(17)21-11-16)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)
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n/an/a 1.02E+4n/an/an/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay

Bioorg Med Chem Lett 27: 862-866 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.015
BindingDB Entry DOI: 10.7270/Q24M96S8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/an/an/a 0.0400n/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of human wild type BCR-ABL expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/an/a 0.0400n/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of human wild type BCR-ABL expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/an/an/a 0.0500n/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of human wild type BCR-ABL expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/an/an/a 34n/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of human wild type BCR-ABL expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50172492
PNG
(CHEMBL3808884)
Show SMILES COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
Show InChI InChI=1S/C29H25F3N6O3/c1-16-4-5-22(8-20(16)12-33-23-7-18-10-25(28(40)41-3)37-26(18)34-13-23)36-27(39)19-6-21(29(30,31)32)11-24(9-19)38-14-17(2)35-15-38/h4-11,13-15,33H,12H2,1-3H3,(H,34,37)(H,36,39)
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n/an/an/an/a 1.80n/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of human BCR-ABL T315I mutant expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of human BCR-ABL T315I mutant expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/an/an/a 0.300n/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of human BCR-ABL T315I mutant expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/an/an/a>1.00E+3n/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of human BCR-ABL T315I mutant expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/an/a>1.00E+3n/an/an/an/a



OriBase Pharma

Curated by ChEMBL


Assay Description
Inhibition of human BCR-ABL T315I mutant expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay

J Med Chem 59: 3886-905 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00087
BindingDB Entry DOI: 10.7270/Q2QF8VTR
More data for this
Ligand-Target Pair