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Compile Data Set for Download or QSAR

Found 858 hits with Last Name = 'pham' and Initial = 'sm'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50323728
PNG
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)|
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a<0.5n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240209
PNG
(CHEMBL4068526)
PDB
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n/an/a<0.5n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240227
PNG
(CHEMBL4084391)
PDB
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n/an/a 0.5n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50323728
PNG
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)|
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) in presence of [gamma-32P]ATP by phosphorimaging assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240213
PNG
(CHEMBL4085366)
PDB
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n/an/a 0.900n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240224
PNG
(CHEMBL4095856)
PDB
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n/an/a 1n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240216
PNG
(CHEMBL4074076)
PDB
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n/an/a 1.70n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240226
PNG
(CHEMBL4065459)
PDB
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280366
PNG
(2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-N-{1H-py...)
Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(cn1)C1CC1
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n/an/a 2.70n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50201717
PNG
(CHEMBL3907591)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)c(F)c(F)c3)c12)C1Cc2ccccc2C1
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n/an/a 3n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280370
PNG
(2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{1H-...)
Show SMILES COc1ccc(Cn2ncc3c(Nc4cc(ncc4C(C)C)-c4cc(Cl)ccc4F)ncnc23)cc1
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n/an/a 3.70n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280369
PNG
(2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{7H-...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4cc(Cl)ccc4F)ncnc23)cc1
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Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240218
PNG
(CHEMBL4059858)
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n/an/a 4n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50201728
PNG
(CHEMBL3914552)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1
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n/an/a 4n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280365
PNG
(4-{[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrid...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C1CC1)-c1cc(Cl)ccc1F |r|
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n/an/a 4.80n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280366
PNG
(2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-N-{1H-py...)
Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(cn1)C1CC1
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n/an/a 6.10n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280352
PNG
(N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(=O)OC(C)(C)C)-c1cc(Cl)ccc1F
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n/an/a 6.80n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50201716
PNG
(CHEMBL3942550)
Show SMILES Nc1ncnc2n(nc(-c3ccc(F)c(O)c3)c12)C1Cc2ccccc2C1
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n/an/a 7n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50201720
PNG
(CHEMBL3896635)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1Cc2ccccc2C1
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n/an/a 8n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50201721
PNG
(CHEMBL3964073)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1
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n/an/a 8n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280369
PNG
(2-(5-chloro-2-fluorophenyl)-5-(propan-2-yl)-N-{7H-...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4cc(Cl)ccc4F)ncnc23)cc1
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n/an/a 8.20n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50388180
PNG
(CHEMBL2057912)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C22H21N5O/c23-21-19-20(26-27(16-6-4-5-7-16)22(19)25-14-24-21)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,23,24,25)
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n/an/a 8.20n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin) by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280340
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-isopropylpyri...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |r|
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n/an/a 8.60n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240219
PNG
(CHEMBL4100838)
PDB
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n/an/a 9n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240227
PNG
(CHEMBL4084391)
PDB
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n/an/a 9n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase


Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50201723
PNG
(CHEMBL3905578)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1
PDB
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n/an/a 9n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240204
PNG
(CHEMBL4081527)
PDB
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n/an/a 10n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined


Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240217
PNG
(CHEMBL4063659)
PDB
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280360
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NCCO)-c1cc(Cl)ccc1F
PDB

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n/an/a 10.3n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280363
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{1H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ccnc23)cc1
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n/an/a 10.5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280365
PNG
(4-{[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyrid...)
Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C1CC1)-c1cc(Cl)ccc1F |r|
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n/an/a 10.5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50205626
PNG
(CHEMBL3900506)
Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1
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Integral BioSciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis


Bioorg Med Chem Lett 27: 217-222 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.080
BindingDB Entry DOI: 10.7270/Q2S46TZW
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280352
PNG
(N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(=O)OC(C)(C)C)-c1cc(Cl)ccc1F
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Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280360
PNG
(4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-p...)
Show SMILES CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NCCO)-c1cc(Cl)ccc1F
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Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280348
PNG
(N-(2-amino-2-oxo-ethyl)-4-[[2-(5-chloro-2-fluoro-p...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(N)=O)-c1cc(Cl)ccc1F
PDB
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n/an/a 11.7n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240211
PNG
(CHEMBL4104586)
PDB
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n/an/a 12n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50201721
PNG
(CHEMBL3964073)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1
PDB
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n/an/a 12n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens (Human))
BDBM280341
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-...)
Show SMILES CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
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Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50201727
PNG
(CHEMBL3924678)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc12
PDB
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Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50201729
PNG
(CHEMBL3923573)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)c(O)c3)c12)C1Cc2ccccc2C1
PDB
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Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280348
PNG
(N-(2-amino-2-oxo-ethyl)-4-[[2-(5-chloro-2-fluoro-p...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(N)=O)-c1cc(Cl)ccc1F
PDB

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n/an/a 15.5n/an/an/an/an/an/a



Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280340
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-isopropylpyri...)
Show SMILES CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |r|
PDB

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Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50201726
PNG
(CHEMBL3897842)
Show SMILES Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
PDB
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Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240227
PNG
(CHEMBL4084391)
PDB
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2153-2160 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280341
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-...)
Show SMILES CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
PDB

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Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280363
PNG
(2-(3-fluoropyridin-2-yl)-5-(propan-2-yl)-N-{1H-pyr...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4cc(ncc4C(C)C)-c4ncccc4F)ccnc23)cc1
PDB

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Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280356
PNG
(4-[[2-amino-6-(5-chloro-2-fluoro-phenyl)-3-isoprop...)
Show SMILES COC(=O)c1cnccc1Nc1cc(nc(NC(=O)OC(C)(C)C)c1C(C)=C)-c1cc(Cl)ccc1F
PDB

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Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50205627
PNG
(CHEMBL3914517)
Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(N2CCNCC2)c2ccccc12
PDB

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Integral BioSciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis


Bioorg Med Chem Lett 27: 217-222 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.080
BindingDB Entry DOI: 10.7270/Q2S46TZW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50205632
PNG
(CHEMBL3901570)
Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(nc1)N1CCNCC1
PDB

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Integral BioSciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis


Bioorg Med Chem Lett 27: 217-222 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.080
BindingDB Entry DOI: 10.7270/Q2S46TZW
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM280345
PNG
((S)-4-(2-(5-chloro-2-fluorophenyl)-5-isopropylpyri...)
Show SMILES C[C@H](O)CNC(=O)c1cncnc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|
PDB

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Medivation Technologies LLC

US Patent




US Patent US10030004 (2018)


BindingDB Entry DOI: 10.7270/Q2QC05HQ
More data for this
Ligand-Target Pair
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