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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'mitchell' and Initial = 'k'   
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
Isocitrate dehydrogenase 1 mutant (R132G)


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 2.90n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
IDH1 R132C


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 3.80n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
IDH1 R132H


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 4.60n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 46n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
For WT IDH1 and IDH2, reactions were conducted at room temperature in 384-well Greiner black microtiter plates in a total volume of 10 μL of ass...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3530
PNG
(6,7-dimethoxy-N-phenylquinazolin-4-amine | CHEMBL5...)
Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC
Show InChI InChI=1S/C16H15N3O2/c1-20-14-8-12-13(9-15(14)21-2)17-10-18-16(12)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19)
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TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291107
PNG
((3-Chloro-phenyl)-(6,7-dimethoxy-quinazolin-4-yl)-...)
Show SMILES COc1cc2ncnc(N(C)c3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C17H16ClN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291110
PNG
(CHEMBL136011 | Methyl-(1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CN(c1cccc(C)c1)c1ncnc2n[nH]cc12
Show InChI InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)18(2)13-11-7-16-17-12(11)14-8-15-13/h3-8H,1-2H3,(H,14,15,16,17)
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TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291111
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-methyl-m-tolyl-ami...)
Show SMILES COc1cc2ncnc(N(C)c3cccc(C)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-12-6-5-7-13(8-12)21(2)18-14-9-16(22-3)17(23-4)10-15(14)19-11-20-18/h5-11H,1-4H3
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 (IDH2)


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 496n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
For WT IDH1 and IDH2, reactions were conducted at room temperature in 384-well Greiner black microtiter plates in a total volume of 10 μL of ass...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck tyrosine kinase


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50273281
PNG
(CHEMBL456375 | CHEMBL543669 | N-methyl-4-anilino-6...)
Show SMILES COc1cc2ncnc(N(C)c3ccccc3)c2cc1OC
Show InChI InChI=1S/C17H17N3O2/c1-20(12-7-5-4-6-8-12)17-13-9-15(21-2)16(22-3)10-14(13)18-11-19-17/h4-11H,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291103
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-methyl-(3-trifluor...)
Show SMILES COc1cc2ncnc(N(C)c3cccc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C18H16F3N3O2/c1-24(12-6-4-5-11(7-12)18(19,20)21)17-13-8-15(25-2)16(26-3)9-14(13)22-10-23-17/h4-10H,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291112
PNG
(CHEMBL541334 | Methyl-phenyl-(1H-pyrazolo[3,4-d]py...)
Show SMILES CN(c1ccccc1)c1ncnc2n[nH]cc12
Show InChI InChI=1S/C12H11N5/c1-17(9-5-3-2-4-6-9)12-10-7-15-16-11(10)13-8-14-12/h2-8H,1H3,(H,13,14,15,16)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 mutant (R172S)


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 1.03E+3n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 2 mutant (R140Q)


(Homo sapiens (Human))
BDBM195601
PNG
(GSK321)
Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Show InChI InChI=1/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/s2
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n/an/a 1.36E+3n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291107
PNG
((3-Chloro-phenyl)-(6,7-dimethoxy-quinazolin-4-yl)-...)
Show SMILES COc1cc2ncnc(N(C)c3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C17H16ClN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291109
PNG
((6,7-Dimethyl-quinazolin-4-yl)-methyl-m-tolyl-amin...)
Show SMILES CN(c1cccc(C)c1)c1ncnc2cc(C)c(C)cc12
Show InChI InChI=1S/C18H19N3/c1-12-6-5-7-15(8-12)21(4)18-16-9-13(2)14(3)10-17(16)19-11-20-18/h5-11H,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291116
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-methyl-p-tolyl-ami...)
Show SMILES COc1cc2ncnc(N(C)c3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-12-5-7-13(8-6-12)21(2)18-14-9-16(22-3)17(23-4)10-15(14)19-11-20-18/h5-11H,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291115
PNG
(CHEMBL335052 | Methyl-phenyl-(9H-purin-6-yl)-amine)
Show SMILES CN(c1ccccc1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C12H11N5/c1-17(9-5-3-2-4-6-9)12-10-11(14-7-13-10)15-8-16-12/h2-8H,1H3,(H,13,14,15,16)
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291114
PNG
((4-Chloro-phenyl)-(6,7-dimethoxy-quinazolin-4-yl)-...)
Show SMILES COc1cc2ncnc(N(C)c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C17H16ClN3O2/c1-21(12-6-4-11(18)5-7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50290633
PNG
(4-(2,3-Dihydro-indol-1-yl)-6,7-dimethoxy-quinazoli...)
Show SMILES COc1cc2ncnc(N3CCc4ccccc34)c2cc1OC
Show InChI InChI=1S/C18H17N3O2/c1-22-16-9-13-14(10-17(16)23-2)19-11-20-18(13)21-8-7-12-5-3-4-6-15(12)21/h3-6,9-11H,7-8H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291114
PNG
((4-Chloro-phenyl)-(6,7-dimethoxy-quinazolin-4-yl)-...)
Show SMILES COc1cc2ncnc(N(C)c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C17H16ClN3O2/c1-21(12-6-4-11(18)5-7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291116
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-methyl-p-tolyl-ami...)
Show SMILES COc1cc2ncnc(N(C)c3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-12-5-7-13(8-6-12)21(2)18-14-9-16(22-3)17(23-4)10-15(14)19-11-20-18/h5-11H,1-4H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291115
PNG
(CHEMBL335052 | Methyl-phenyl-(9H-purin-6-yl)-amine)
Show SMILES CN(c1ccccc1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C12H11N5/c1-17(9-5-3-2-4-6-9)12-10-11(14-7-13-10)15-8-16-12/h2-8H,1H3,(H,13,14,15,16)
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50273281
PNG
(CHEMBL456375 | CHEMBL543669 | N-methyl-4-anilino-6...)
Show SMILES COc1cc2ncnc(N(C)c3ccccc3)c2cc1OC
Show InChI InChI=1S/C17H17N3O2/c1-20(12-7-5-4-6-8-12)17-13-9-15(21-2)16(22-3)10-14(13)18-11-19-17/h4-11H,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291102
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-ethyl-phenyl-amine...)
Show SMILES CCN(c1ccccc1)c1ncnc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C18H19N3O2/c1-4-21(13-8-6-5-7-9-13)18-14-10-16(22-2)17(23-3)11-15(14)19-12-20-18/h5-12H,4H2,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
IDH1 R132C


(Homo sapiens (Human))
BDBM195602
PNG
(GSK990)
Show SMILES Cc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3CCN(Cc23)C(=O)c2ccc[nH]2)c1
Show InChI InChI=1S/C23H23N7O2/c1-15-4-2-5-16(10-15)27-22(31)21-18-13-29(23(32)19-6-3-8-25-19)9-7-20(18)30(28-21)12-17-11-24-14-26-17/h2-6,8,10-11,14,25H,7,9,12-13H2,1H3,(H,24,26)(H,27,31)
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n/an/a 4.50E+3n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291106
PNG
((2,6-Dichloro-quinazolin-4-yl)-methyl-phenyl-amine...)
Show SMILES CN(c1ccccc1)c1ncnc2ccc(Cl)cc12
Show InChI InChI=1S/C15H12ClN3/c1-19(12-5-3-2-4-6-12)15-13-9-11(16)7-8-14(13)17-10-18-15/h2-10H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50290633
PNG
(4-(2,3-Dihydro-indol-1-yl)-6,7-dimethoxy-quinazoli...)
Show SMILES COc1cc2ncnc(N3CCc4ccccc34)c2cc1OC
Show InChI InChI=1S/C18H17N3O2/c1-22-16-9-13-14(10-17(16)23-2)19-11-20-18(13)21-8-7-12-5-3-4-6-15(12)21/h3-6,9-11H,7-8H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291102
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-ethyl-phenyl-amine...)
Show SMILES CCN(c1ccccc1)c1ncnc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C18H19N3O2/c1-4-21(13-8-6-5-7-9-13)18-14-10-16(22-2)17(23-3)11-15(14)19-12-20-18/h5-12H,4H2,1-3H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291109
PNG
((6,7-Dimethyl-quinazolin-4-yl)-methyl-m-tolyl-amin...)
Show SMILES CN(c1cccc(C)c1)c1ncnc2cc(C)c(C)cc12
Show InChI InChI=1S/C18H19N3/c1-12-6-5-7-15(8-12)21(4)18-16-9-13(2)14(3)10-17(16)19-11-20-18/h5-11H,1-4H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (Human))
BDBM195602
PNG
(GSK990)
Show SMILES Cc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3CCN(Cc23)C(=O)c2ccc[nH]2)c1
Show InChI InChI=1S/C23H23N7O2/c1-15-4-2-5-16(10-15)27-22(31)21-18-13-29(23(32)19-6-3-8-25-19)9-7-20(18)30(28-21)12-17-11-24-14-26-17/h2-6,8,10-11,14,25H,7,9,12-13H2,1H3,(H,24,26)(H,27,31)
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n/an/a 1.09E+4n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291111
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-methyl-m-tolyl-ami...)
Show SMILES COc1cc2ncnc(N(C)c3cccc(C)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-12-6-5-7-13(8-12)21(2)18-14-9-16(22-3)17(23-4)10-15(14)19-11-20-18/h5-11H,1-4H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50273281
PNG
(CHEMBL456375 | CHEMBL543669 | N-methyl-4-anilino-6...)
Show SMILES COc1cc2ncnc(N(C)c3ccccc3)c2cc1OC
Show InChI InChI=1S/C17H17N3O2/c1-20(12-7-5-4-6-8-12)17-13-9-15(21-2)16(22-3)10-14(13)18-11-19-17/h4-11H,1-3H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor (PDGF-R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor (PDGF-R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291105
PNG
((6,8-Dimethyl-quinazolin-4-yl)-methyl-phenyl-amine...)
Show SMILES CN(c1ccccc1)c1ncnc2c(C)cc(C)cc12
Show InChI InChI=1S/C17H17N3/c1-12-9-13(2)16-15(10-12)17(19-11-18-16)20(3)14-7-5-4-6-8-14/h4-11H,1-3H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291104
PNG
((6-Methoxy-quinazolin-4-yl)-methyl-phenyl-amine; h...)
Show SMILES COc1ccc2ncnc(N(C)c3ccccc3)c2c1
Show InChI InChI=1S/C16H15N3O/c1-19(12-6-4-3-5-7-12)16-14-10-13(20-2)8-9-15(14)17-11-18-16/h3-11H,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291101
PNG
(CHEMBL545302 | Methyl-phenyl-(6,7,8-trimethoxy-qui...)
Show SMILES COc1cc2c(ncnc2c(OC)c1OC)N(C)c1ccccc1
Show InChI InChI=1S/C18H19N3O3/c1-21(12-8-6-5-7-9-12)18-13-10-14(22-2)16(23-3)17(24-4)15(13)19-11-20-18/h5-11H,1-4H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291104
PNG
((6-Methoxy-quinazolin-4-yl)-methyl-phenyl-amine; h...)
Show SMILES COc1ccc2ncnc(N(C)c3ccccc3)c2c1
Show InChI InChI=1S/C16H15N3O/c1-19(12-6-4-3-5-7-12)16-14-10-13(20-2)8-9-15(14)17-11-18-16/h3-11H,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM3260
PNG
(4-Anilino quinazoline deriv. 11 | N-methyl-N-pheny...)
Show SMILES CN(c1ccccc1)c1ncnc2ccccc12
Show InChI InChI=1S/C15H13N3/c1-18(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)16-11-17-15/h2-11H,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291105
PNG
((6,8-Dimethyl-quinazolin-4-yl)-methyl-phenyl-amine...)
Show SMILES CN(c1ccccc1)c1ncnc2c(C)cc(C)cc12
Show InChI InChI=1S/C17H17N3/c1-12-9-13(2)16-15(10-12)17(19-11-18-16)20(3)14-7-5-4-6-8-14/h4-11H,1-3H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291106
PNG
((2,6-Dichloro-quinazolin-4-yl)-methyl-phenyl-amine...)
Show SMILES CN(c1ccccc1)c1ncnc2ccc(Cl)cc12
Show InChI InChI=1S/C15H12ClN3/c1-19(12-5-3-2-4-6-12)15-13-9-11(16)7-8-14(13)17-10-18-15/h2-10H,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291101
PNG
(CHEMBL545302 | Methyl-phenyl-(6,7,8-trimethoxy-qui...)
Show SMILES COc1cc2c(ncnc2c(OC)c1OC)N(C)c1ccccc1
Show InChI InChI=1S/C18H19N3O3/c1-21(12-8-6-5-7-9-12)18-13-10-14(22-2)16(23-3)17(24-4)15(13)19-11-20-18/h5-11H,1-4H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase 1 mutant (R132G)


(Homo sapiens (Human))
BDBM195602
PNG
(GSK990)
Show SMILES Cc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3CCN(Cc23)C(=O)c2ccc[nH]2)c1
Show InChI InChI=1S/C23H23N7O2/c1-15-4-2-5-16(10-15)27-22(31)21-18-13-29(23(32)19-6-3-8-25-19)9-7-20(18)30(28-21)12-17-11-24-14-26-17/h2-6,8,10-11,14,25H,7,9,12-13H2,1H3,(H,24,26)(H,27,31)
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n/an/a 2.33E+4n/an/an/an/an/a25



Albert Einstein College of Medicine



Assay Description
RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...


Nat Chem Biol 11: 878-86 (2015)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2RR1X2G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291103
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-methyl-(3-trifluor...)
Show SMILES COc1cc2ncnc(N(C)c3cccc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C18H16F3N3O2/c1-24(12-6-4-5-11(7-12)18(19,20)21)17-13-8-15(25-2)16(26-3)9-14(13)22-10-23-17/h4-10H,1-3H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50291117
PNG
(CHEMBL135928 | Methyl-phenyl-(2,6,7-trimethoxy-qui...)
Show SMILES COc1cc2nc(OC)nc(N(C)c3ccccc3)c2cc1OC
Show InChI InChI=1S/C18H19N3O3/c1-21(12-8-6-5-7-9-12)17-13-10-15(22-2)16(23-3)11-14(13)19-18(20-17)24-4/h5-11H,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291117
PNG
(CHEMBL135928 | Methyl-phenyl-(2,6,7-trimethoxy-qui...)
Show SMILES COc1cc2nc(OC)nc(N(C)c3ccccc3)c2cc1OC
Show InChI InChI=1S/C18H19N3O3/c1-21(12-8-6-5-7-9-12)17-13-10-15(22-2)16(23-3)11-14(13)19-18(20-17)24-4/h5-11H,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM3530
PNG
(6,7-dimethoxy-N-phenylquinazolin-4-amine | CHEMBL5...)
Show SMILES COc1cc2ncnc(Nc3ccccc3)c2cc1OC
Show InChI InChI=1S/C16H15N3O2/c1-20-14-8-12-13(9-15(14)21-2)17-10-18-16(12)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50291108
PNG
((2-Chloro-6,7-dimethoxy-quinazolin-4-yl)-methyl-ph...)
Show SMILES COc1cc2nc(Cl)nc(N(C)c3ccccc3)c2cc1OC
Show InChI InChI=1S/C17H16ClN3O2/c1-21(11-7-5-4-6-8-11)16-12-9-14(22-2)15(23-3)10-13(12)19-17(18)20-16/h4-10H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
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