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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'sathe' and Initial = 'bd'   
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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240209
PNG
(CHEMBL4068526)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cn[nH]c3)c2)CC1
Show InChI InChI=1S/C31H31F3N6O2/c1-20-6-9-26(16-28(20)38-30(42)22-5-3-4-21(14-22)25-17-35-36-18-25)37-29(41)23-7-8-24(27(15-23)31(32,33)34)19-40-12-10-39(2)11-13-40/h3-9,14-18H,10-13,19H2,1-2H3,(H,35,36)(H,37,41)(H,38,42)
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n/an/a<0.5n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35)
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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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240213
PNG
(CHEMBL4085366)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H19F3N6O2/c1-14-21(32-23(35)17-6-16(9-28-10-17)18-11-30-33(2)13-18)8-20(12-29-14)31-22(34)15-4-3-5-19(7-15)24(25,26)27/h3-13H,1-2H3,(H,31,34)(H,32,35)
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n/an/a 0.900n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cnn(C)c3)c2)CC1
Show InChI InChI=1S/C32H33F3N6O2/c1-21-7-10-27(17-29(21)38-31(43)23-6-4-5-22(15-23)26-18-36-40(3)19-26)37-30(42)24-8-9-25(28(16-24)32(33,34)35)20-41-13-11-39(2)12-14-41/h4-10,15-19H,11-14,20H2,1-3H3,(H,37,42)(H,38,43)
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1NC(=O)c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C31H31F3N6O2/c1-20-6-9-26(16-28(20)38-30(42)22-5-3-4-21(14-22)25-17-36-39(2)18-25)37-29(41)23-7-8-24(27(15-23)31(32,33)34)19-40-12-10-35-11-13-40/h3-9,14-18,35H,10-13,19H2,1-2H3,(H,37,41)(H,38,42)
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m0/s1
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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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50199118
PNG
(CHEMBL3894825)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1
Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35)
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240218
PNG
(CHEMBL4059858)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C33H32F3N5O2/c1-22-8-11-28(19-30(22)39-32(43)24-6-3-5-23(17-24)26-7-4-12-37-20-26)38-31(42)25-9-10-27(29(18-25)33(34,35)36)21-41-15-13-40(2)14-16-41/h3-12,17-20H,13-16,21H2,1-2H3,(H,38,42)(H,39,43)
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240219
PNG
(CHEMBL4100838)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cncnc3)c2)CC1
Show InChI InChI=1S/C32H31F3N6O2/c1-21-6-9-27(16-29(21)39-31(43)23-5-3-4-22(14-23)26-17-36-20-37-18-26)38-30(42)24-7-8-25(28(15-24)32(33,34)35)19-41-12-10-40(2)11-13-41/h3-9,14-18,20H,10-13,19H2,1-2H3,(H,38,42)(H,39,43)
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35)
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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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240217
PNG
(CHEMBL4063659)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3ccncc3)c2)CC1
Show InChI InChI=1S/C33H32F3N5O2/c1-22-6-9-28(20-30(22)39-32(43)25-5-3-4-24(18-25)23-10-12-37-13-11-23)38-31(42)26-7-8-27(29(19-26)33(34,35)36)21-41-16-14-40(2)15-17-41/h3-13,18-20H,14-17,21H2,1-2H3,(H,38,42)(H,39,43)
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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))
BDBM50240204
PNG
(CHEMBL4081527)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cncnc4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H31F3N6O2/c1-21-6-7-24(15-29(21)39-31(43)23-5-3-4-22(14-23)26-17-36-20-37-18-26)30(42)38-27-9-8-25(28(16-27)32(33,34)35)19-41-12-10-40(2)11-13-41/h3-9,14-18,20H,10-13,19H2,1-2H3,(H,38,42)(H,39,43)
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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))
BDBM50240211
PNG
(CHEMBL4104586)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3ccccn3)c2)CC1
Show InChI InChI=1S/C33H32F3N5O2/c1-22-9-12-27(20-30(22)39-32(43)24-7-5-6-23(18-24)29-8-3-4-13-37-29)38-31(42)25-10-11-26(28(19-25)33(34,35)36)21-41-16-14-40(2)15-17-41/h3-13,18-20H,14-17,21H2,1-2H3,(H,38,42)(H,39,43)
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n/an/a 12n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240227
PNG
(CHEMBL4084391)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35)
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n/an/a 16n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using fluorescen...


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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50240209
PNG
(CHEMBL4068526)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cn[nH]c3)c2)CC1
Show InChI InChI=1S/C31H31F3N6O2/c1-20-6-9-26(16-28(20)38-30(42)22-5-3-4-21(14-22)25-17-35-36-18-25)37-29(41)23-7-8-24(27(15-23)31(32,33)34)19-40-12-10-39(2)11-13-40/h3-9,14-18H,10-13,19H2,1-2H3,(H,35,36)(H,37,41)(H,38,42)
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n/an/a 20n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate measured after 2 hrs in presence of [33gammaP]ATP by P18 ion exchange chromatographi...


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))
BDBM50240228
PNG
(CHEMBL4060882)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cccnc4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H32F3N5O2/c1-22-8-9-25(18-30(22)39-32(43)24-6-3-5-23(17-24)26-7-4-12-37-20-26)31(42)38-28-11-10-27(29(19-28)33(34,35)36)21-41-15-13-40(2)14-16-41/h3-12,17-20H,13-16,21H2,1-2H3,(H,38,42)(H,39,43)
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n/an/a 20n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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))
BDBM50240210
PNG
(CHEMBL4084299)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3nn[nH]n3)c2)CC1
Show InChI InChI=1S/C29H29F3N8O2/c1-18-6-9-23(16-25(18)34-28(42)20-5-3-4-19(14-20)26-35-37-38-36-26)33-27(41)21-7-8-22(24(15-21)29(30,31)32)17-40-12-10-39(2)11-13-40/h3-9,14-16H,10-13,17H2,1-2H3,(H,33,41)(H,34,42)(H,35,36,37,38)
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n/an/a 20n/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
Androgen receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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n/an/a 21n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [18F]-FDHT from androgen receptor in human LNCAP/AR cells


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240227
PNG
(CHEMBL4084391)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35)
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n/an/a 24n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using fluorescen...


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
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50199115
PNG
(CHEMBL3921621)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=S)c(F)c1
Show InChI InChI=1S/C31H29F4N5O3S2/c1-30(2)28(43)39(20-10-9-19(18-36)23(16-20)31(33,34)35)29(45)40(30)21-11-12-22(24(32)17-21)26(42)37-13-5-3-4-6-14-38-15-7-8-25(41)27(38)44/h7-12,15-17,41H,3-6,13-14H2,1-2H3,(H,37,42)
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n/an/a<30n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50199116
PNG
(CHEMBL3948543)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCC(=O)Nc2ccccc2N)c(F)c1
Show InChI InChI=1S/C33H32F4N6O3S/c1-32(2)30(46)42(21-13-12-20(19-38)24(17-21)33(35,36)37)31(47)43(32)22-14-15-23(25(34)18-22)29(45)40-16-8-4-3-5-11-28(44)41-27-10-7-6-9-26(27)39/h6-7,9-10,12-15,17-18H,3-5,8,11,16,39H2,1-2H3,(H,40,45)(H,41,44)
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240206
PNG
(CHEMBL4064012)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cccs3)c2)CC1
Show InChI InChI=1S/C32H31F3N4O2S/c1-21-8-11-26(19-28(21)37-31(41)23-6-3-5-22(17-23)29-7-4-16-42-29)36-30(40)24-9-10-25(27(18-24)32(33,34)35)20-39-14-12-38(2)13-15-39/h3-11,16-19H,12-15,20H2,1-2H3,(H,36,40)(H,37,41)
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n/an/a 30n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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
Androgen receptor


(Homo sapiens (Human))
BDBM50199117
PNG
(CHEMBL3983635)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1
Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36)
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n/an/a<30n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50199122
PNG
(CHEMBL3926959)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1
Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50199111
PNG
(CHEMBL3979648)
Show SMILES COC(=O)CCCCCCCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29F4N3O3S/c1-27(2)25(37)34(20-13-12-19(17-33)22(15-20)28(30,31)32)26(39)35(27)21-14-11-18(23(29)16-21)9-7-5-4-6-8-10-24(36)38-3/h11-16H,4-10H2,1-3H3
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Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240226
PNG
(CHEMBL4065459)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using fluorescen...


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))
BDBM50240212
PNG
(CHEMBL4103299)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cnc(N)nc1
Show InChI InChI=1S/C20H16F3N5O2/c1-11-5-6-15(8-16(11)28-18(30)13-9-25-19(24)26-10-13)27-17(29)12-3-2-4-14(7-12)20(21,22)23/h2-10H,1H3,(H,27,29)(H,28,30)(H2,24,25,26)
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n/an/a 32n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50199117
PNG
(CHEMBL3983635)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1
Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36)
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n/an/a 36n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240222
PNG
(CHEMBL4082748)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H28ClF3N4O2S/c1-38-11-13-39(14-12-38)19-23-7-9-24(18-25(23)31(33,34)35)36-29(40)22-8-10-26(32)27(17-22)37-30(41)21-5-2-4-20(16-21)28-6-3-15-42-28/h2-10,15-18H,11-14,19H2,1H3,(H,36,40)(H,37,41)
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n/an/a 40n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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
Androgen receptor


(Homo sapiens (Human))
BDBM50199118
PNG
(CHEMBL3894825)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1
Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35)
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n/an/a 43n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240226
PNG
(CHEMBL4065459)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)ccn1 |r|
Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m0/s1
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n/an/a 58n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50240227
PNG
(CHEMBL4084391)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35)
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n/an/a 60n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate measured after 2 hrs in presence of [33gammaP]ATP by P18 ion exchange chromatographi...


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
Androgen receptor


(Homo sapiens (Human))
BDBM50199121
PNG
(CHEMBL3908221)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCc2ccc(s2)C(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C32H27F7N4O3S2/c1-30(2)28(46)42(19-9-8-18(17-40)23(15-19)31(34,35)36)29(47)43(30)20-10-12-22(24(33)16-20)27(45)41-14-6-4-3-5-7-21-11-13-25(48-21)26(44)32(37,38)39/h8-13,15-16H,3-7,14H2,1-2H3,(H,41,45)
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n/an/a 68n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240224
PNG
(CHEMBL4095856)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cnn(C)c3)c2)CC1
Show InChI InChI=1S/C32H33F3N6O2/c1-21-7-10-27(17-29(21)38-31(43)23-6-4-5-22(15-23)26-18-36-40(3)19-26)37-30(42)24-8-9-25(28(16-24)32(33,34)35)20-41-13-11-39(2)12-14-41/h4-10,15-19H,11-14,20H2,1-3H3,(H,37,42)(H,38,43)
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n/an/a 69n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using fluorescen...


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
Androgen receptor


(Homo sapiens (Human))
BDBM50199114
PNG
(CHEMBL3966165)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCOCCC(=O)NO)c(F)c1
Show InChI InChI=1S/C25H23F4N5O5S/c1-24(2)22(37)33(15-4-3-14(13-30)18(11-15)25(27,28)29)23(40)34(24)16-5-6-17(19(26)12-16)21(36)31-8-10-39-9-7-20(35)32-38/h3-6,11-12,38H,7-10H2,1-2H3,(H,31,36)(H,32,35)
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n/an/a 78n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240220
PNG
(CHEMBL4079932)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H31F3N4O2S/c1-21-8-9-24(18-28(21)37-31(41)23-6-3-5-22(17-23)29-7-4-16-42-29)30(40)36-26-11-10-25(27(19-26)32(33,34)35)20-39-14-12-38(2)13-15-39/h3-11,16-19H,12-15,20H2,1-2H3,(H,36,40)(H,37,41)
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n/an/a 80n/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
Androgen receptor


(Homo sapiens (Human))
BDBM50199123
PNG
(CHEMBL3903756)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCNS(N)(=O)=O)c(F)c1
Show InChI InChI=1S/C26H28F4N6O4S2/c1-25(2)23(38)35(17-8-7-16(15-31)20(13-17)26(28,29)30)24(41)36(25)18-9-10-19(21(27)14-18)22(37)33-11-5-3-4-6-12-34-42(32,39)40/h7-10,13-14,34H,3-6,11-12H2,1-2H3,(H,33,37)(H2,32,39,40)
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n/an/a 110n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50240215
PNG
(CHEMBL4062707)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C26H21F3N4O2/c1-16-9-10-22(31-24(34)19-7-4-8-21(12-19)26(27,28)29)13-23(16)32-25(35)18-6-3-5-17(11-18)20-14-30-33(2)15-20/h3-15H,1-2H3,(H,31,34)(H,32,35)
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n/an/a 130n/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; value ranges from 36-60 uM


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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50199111
PNG
(CHEMBL3979648)
Show SMILES COC(=O)CCCCCCCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29F4N3O3S/c1-27(2)25(37)34(20-13-12-19(17-33)22(15-20)28(30,31)32)26(39)35(27)21-14-11-18(23(29)16-21)9-7-5-4-6-8-10-24(36)38-3/h11-16H,4-10H2,1-3H3
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n/an/a 170n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50240213
PNG
(CHEMBL4085366)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C24H19F3N6O2/c1-14-21(32-23(35)17-6-16(9-28-10-17)18-11-30-33(2)13-18)8-20(12-29-14)31-22(34)15-4-3-5-19(7-15)24(25,26)27/h3-13H,1-2H3,(H,31,34)(H,32,35)
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n/an/a 180n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate measured after 2 hrs in presence of [33gammaP]ATP by P18 ion exchange chromatographi...


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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50240222
PNG
(CHEMBL4082748)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H28ClF3N4O2S/c1-38-11-13-39(14-12-38)19-23-7-9-24(18-25(23)31(33,34)35)36-29(40)22-8-10-26(32)27(17-22)37-30(41)21-5-2-4-20(16-21)28-6-3-15-42-28/h2-10,15-18H,11-14,19H2,1H3,(H,36,40)(H,37,41)
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n/an/a 190n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate measured after 2 hrs in presence of [33gammaP]ATP by P18 ion exchange chromatographi...


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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50240228
PNG
(CHEMBL4060882)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cccnc4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H32F3N5O2/c1-22-8-9-25(18-30(22)39-32(43)24-6-3-5-23(17-24)26-7-4-12-37-20-26)31(42)38-28-11-10-27(29(19-28)33(34,35)36)21-41-15-13-40(2)14-16-41/h3-12,17-20H,13-16,21H2,1-2H3,(H,38,42)(H,39,43)
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n/an/a 210n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate measured after 2 hrs in presence of [33gammaP]ATP by P18 ion exchange chromatographi...


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
Androgen receptor


(Homo sapiens (Human))
BDBM50199119
PNG
(CHEMBL3948452)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(\C=C\C(=O)Nc2ccccc2N)c(F)c1
Show InChI InChI=1S/C28H21F4N5O2S/c1-27(2)25(39)36(18-10-8-17(15-33)20(13-18)28(30,31)32)26(40)37(27)19-11-7-16(21(29)14-19)9-12-24(38)35-23-6-4-3-5-22(23)34/h3-14H,34H2,1-2H3,(H,35,38)/b12-9+
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n/an/a 230n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240221
PNG
(CHEMBL4099220)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cccs4)c3)cc2Cl)CC1
Show InChI InChI=1S/C31H31ClN4O2S/c1-21-8-9-24(18-28(21)34-31(38)23-6-3-5-22(17-23)29-7-4-16-39-29)30(37)33-26-11-10-25(27(32)19-26)20-36-14-12-35(2)13-15-36/h3-11,16-19H,12-15,20H2,1-2H3,(H,33,37)(H,34,38)
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n/an/a 230n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic...


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
Androgen receptor


(Homo sapiens (Human))
BDBM50199112
PNG
(CHEMBL3912767)
Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=O)c(F)c1
Show InChI InChI=1S/C31H29F4N5O4S/c1-30(2)28(44)39(20-10-9-19(18-36)23(16-20)31(33,34)35)29(45)40(30)21-11-12-22(24(32)17-21)26(42)37-13-5-3-4-6-14-38-15-7-8-25(41)27(38)43/h7-12,15-17,41H,3-6,13-14H2,1-2H3,(H,37,42)
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n/an/a 250n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay


Bioorg Med Chem Lett 26: 5222-5228 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50240208
PNG
(CHEMBL4099012)
Show SMILES CN1CCN(Cc2ccc(NCc3ccc(C)c(NC(=O)c4cccc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H33F3N4OS/c1-22-8-9-23(17-29(22)37-31(40)25-6-3-5-24(18-25)30-7-4-16-41-30)20-36-27-11-10-26(28(19-27)32(33,34)35)21-39-14-12-38(2)13-15-39/h3-11,16-19,36H,12-15,20-21H2,1-2H3,(H,37,40)
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n/an/a 270n/an/an/an/an/an/a



Integral BioSciences Pvt. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate measured after 2 hrs in presence of [33gammaP]ATP by P18 ion exchange chromatographi...


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
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