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Compile Data Set for Download or QSAR

Found 87 hits Enz. Inhib. hit(s) with all data for entry = 50040818   
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 receptor FLT3


(Homo sapiens (Human))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation in human MV4-11 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of KIT phosphorylation in human H526 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation in human MV4-11 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation in human MV4-11 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a 6.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human MG63 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a 6.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of M-CSF-induced FK506 -fussed CSF1R phosphorylation expressed in HEK293 cells after 2 hrs by sandwich ELISA


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/a 7.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human MG63 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of KIT phosphorylation in human H526 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of KIT phosphorylation in human H526 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/a 9.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human MG63 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/a 10.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of M-CSF-induced FK506 -fussed CSF1R phosphorylation expressed in HEK293 cells after 2 hrs by sandwich ELISA


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of M-CSF-induced FK506 -fussed CSF1R phosphorylation expressed in HEK293 cells after 2 hrs by sandwich ELISA


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400609
PNG
(CHEMBL2203433)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCNCC4)cn3)cc2)no1
Show InChI InChI=1S/C25H30N6O4/c1-25(2,3)21-14-22(31-35-21)30-24(33)29-17-6-4-16(5-7-17)28-23(32)20-9-8-19(15-27-20)34-18-10-12-26-13-11-18/h4-9,14-15,18,26H,10-13H2,1-3H3,(H,28,32)(H2,29,30,31,33)
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n/an/a 35.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400614
PNG
(CHEMBL2203426)
Show SMILES CCN1CCC(CC1)c1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O3/c1-5-33-14-12-18(13-15-33)19-6-11-22(28-17-19)25(34)29-20-7-9-21(10-8-20)30-26(35)31-24-16-23(36-32-24)27(2,3)4/h6-11,16-18H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/a 46.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/a 50.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400613
PNG
(CHEMBL2203429)
Show SMILES Cc1ccnc(c1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C21H23N5O3/c1-13-9-10-22-16(11-13)19(27)23-14-5-7-15(8-6-14)24-20(28)25-18-12-17(29-26-18)21(2,3)4/h5-12H,1-4H3,(H,23,27)(H2,24,25,26,28)
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n/an/a 63.9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400606
PNG
(CHEMBL2203437)
Show SMILES CC(C)(C)N1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C29H38N6O4/c1-28(2,3)24-17-25(34-39-24)33-27(37)32-20-9-7-19(8-10-20)31-26(36)23-12-11-22(18-30-23)38-21-13-15-35(16-14-21)29(4,5)6/h7-12,17-18,21H,13-16H2,1-6H3,(H,31,36)(H2,32,33,34,37)
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n/an/a 64.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400604
PNG
(CHEMBL2203427)
Show SMILES CCN1CCC(Cc2ccc(nc2)C(=O)Nc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
Show InChI InChI=1S/C28H36N6O3/c1-5-34-14-12-19(13-15-34)16-20-6-11-23(29-18-20)26(35)30-21-7-9-22(10-8-21)31-27(36)32-25-17-24(37-33-25)28(2,3)4/h6-11,17-19H,5,12-16H2,1-4H3,(H,30,35)(H2,31,32,33,36)
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n/an/a 67.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400615
PNG
(CHEMBL2206279)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CC(C)(C)NC(C)(C)C4)cn3)cc2)no1
Show InChI InChI=1S/C29H38N6O4/c1-27(2,3)23-14-24(34-39-23)33-26(37)32-19-10-8-18(9-11-19)31-25(36)22-13-12-20(17-30-22)38-21-15-28(4,5)35-29(6,7)16-21/h8-14,17,21,35H,15-16H2,1-7H3,(H,31,36)(H2,32,33,34,37)
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n/an/a 74.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400608
PNG
(CHEMBL2203435)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C28H36N6O4/c1-18(2)34-14-12-21(13-15-34)37-22-10-11-23(29-17-22)26(35)30-19-6-8-20(9-7-19)31-27(36)32-25-16-24(38-33-25)28(3,4)5/h6-11,16-18,21H,12-15H2,1-5H3,(H,30,35)(H2,31,32,33,36)
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n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400603
PNG
(CHEMBL2203428)
Show SMILES CN1CCN(Cc2ccc(nc2)C(=O)Nc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
Show InChI InChI=1S/C26H33N7O3/c1-26(2,3)22-15-23(31-36-22)30-25(35)29-20-8-6-19(7-9-20)28-24(34)21-10-5-18(16-27-21)17-33-13-11-32(4)12-14-33/h5-10,15-16H,11-14,17H2,1-4H3,(H,28,34)(H2,29,30,31,35)
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n/an/a 109n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400611
PNG
(CHEMBL2203431)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc(OC4CCNCC4)ccn3)cc2)no1
Show InChI InChI=1S/C25H30N6O4/c1-25(2,3)21-15-22(31-35-21)30-24(33)29-17-6-4-16(5-7-17)28-23(32)20-14-19(10-13-27-20)34-18-8-11-26-12-9-18/h4-7,10,13-15,18,26H,8-9,11-12H2,1-3H3,(H,28,32)(H2,29,30,31,33)
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n/an/a 145n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400605
PNG
(CHEMBL2203438)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(CC4)C4CC4)cn3)cc2)no1
Show InChI InChI=1S/C28H34N6O4/c1-28(2,3)24-16-25(33-38-24)32-27(36)31-19-6-4-18(5-7-19)30-26(35)23-11-10-22(17-29-23)37-21-12-14-34(15-13-21)20-8-9-20/h4-7,10-11,16-17,20-21H,8-9,12-15H2,1-3H3,(H,30,35)(H2,31,32,33,36)
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400607
PNG
(CHEMBL2203436)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(CC(F)(F)F)CC4)cn3)cc2)no1
Show InChI InChI=1S/C27H31F3N6O4/c1-26(2,3)22-14-23(35-40-22)34-25(38)33-18-6-4-17(5-7-18)32-24(37)21-9-8-20(15-31-21)39-19-10-12-36(13-11-19)16-27(28,29)30/h4-9,14-15,19H,10-13,16H2,1-3H3,(H,32,37)(H2,33,34,35,38)
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n/an/a 169n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400612
PNG
(CHEMBL2203430)
Show SMILES Cc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C21H23N5O3/c1-13-5-10-16(22-12-13)19(27)23-14-6-8-15(9-7-14)24-20(28)25-18-11-17(29-26-18)21(2,3)4/h5-12H,1-4H3,(H,23,27)(H2,24,25,26,28)
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n/an/a 223n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50400610
PNG
(CHEMBL2203432)
Show SMILES CCN1CCC(CC1)Oc1ccnc(c1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-11-20(12-15-33)36-21-10-13-28-22(16-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-17-23(37-32-24)27(2,3)4/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a 296n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50400601
PNG
(CHEMBL2203434)
Show SMILES CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22(28-17-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-16-23(37-32-24)27(2,3)4/h6-11,16-17,20H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/a>4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/an/a 1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to PDGFRbeta expressed in HEK-293 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/an/a 0.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to FLT3 expressed in HEK-293 cells after 1 hr


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50400602
PNG
(CHEMBL2206278)
Show SMILES CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)
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n/an/an/a 1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to KIT expressed in HEK-293 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/an/a 2.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to PDGFRbeta expressed in HEK-293 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/an/a 2.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to PDGFRalpha expressed in HEK-293 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50400600
PNG
(CHEMBL2206277)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
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n/an/an/a 1.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to KIT expressed in HEK-293 cells


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
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