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Compile Data Set for Download or QSAR

Found 13421 hits with Last Name = 'campbell' and Initial = 'bt'   
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM272063
PNG
(US10065945, Example 57)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N1CCCC1)c1cc(F)cc(F)c1 |r|
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n/an/a 1.60n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US10065945 (2018)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q24X59TJ
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM272061
PNG
(US10065945, Example 55)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N1CCC1)c1cc(F)cc(F)c1 |r|
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n/an/a 3.70n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US10065945 (2018)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q24X59TJ
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM272062
PNG
(US10065945, Example 56)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N(C)C)c1cc(F)cc(F)c1 |r|
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n/an/a 5.70n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US10065945 (2018)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q24X59TJ
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM272059
PNG
(US10065945, Example 53)
Show SMILES CCNC(=O)c1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2cc(F)cc(F)c2)n1 |r|
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n/an/a 7.10n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US10065945 (2018)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q24X59TJ
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM271895
PNG
(US10065945, Example 7)
Show SMILES CCc1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2ccc(OCC(F)(F)F)nc2)n1 |r|
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n/an/a 8.10n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US10065945 (2018)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q24X59TJ
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM271894
PNG
(US10065945, Example 6)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1noc(n1)-c1ccccc1)c1ccc(OCC(F)(F)F)nc1 |r|
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n/an/a 9.20n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US10065945 (2018)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q24X59TJ
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM272058
PNG
(US10065945, Example 8)
Show SMILES CC(C)c1nc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2ccc(OCC(F)(F)F)nc2)no1 |r|
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n/an/a 13n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US10065945 (2018)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q24X59TJ
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM272064
PNG
(US10065945, Example 58)
Show SMILES CC(C)CNC(=O)c1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2cc(F)cc(F)c2)n1 |r|
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n/an/a 15n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US10065945 (2018)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q24X59TJ
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM272060
PNG
(US10065945, Example 54)
Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)NCC(F)(F)F)c1cc(F)cc(F)c1 |r|
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n/an/a 16n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US10065945 (2018)


Article DOI: 10.1021/jm0496741
BindingDB Entry DOI: 10.7270/Q24X59TJ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178456
PNG
(CHEMBL202120 | N-(3-fluorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(F)c3)c2c1C
Show InChI InChI=1S/C24H25FN4O/c1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178458
PNG
(6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-4,5,7-trimeth...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4[nH]ccc4c3)c2c1C
Show InChI InChI=1S/C25H25N5O/c1-5-31-21-9-7-20(8-10-21)30-16(3)23-15(2)28-29-25(24(23)17(30)4)27-19-6-11-22-18(14-19)12-13-26-22/h6-14,26H,5H2,1-4H3,(H,27,29)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178478
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((5,6,7,8-tet...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc4CCCNc4n3)c2c1C
Show InChI InChI=1S/C26H30N6O/c1-5-33-22-12-10-21(11-13-22)32-17(3)23-16(2)30-31-26(24(23)18(32)4)28-15-20-9-8-19-7-6-14-27-25(19)29-20/h8-13H,5-7,14-15H2,1-4H3,(H,27,29)(H,28,31)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
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
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178454
PNG
(6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-4,5,7-trime...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4[nH]ncc4c3)c2c1C
Show InChI InChI=1S/C24H24N6O/c1-5-31-20-9-7-19(8-10-20)30-15(3)22-14(2)27-29-24(23(22)16(30)4)26-18-6-11-21-17(12-18)13-25-28-21/h6-13H,5H2,1-4H3,(H,25,28)(H,26,29)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
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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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
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178480
PNG
(CHEMBL201824 | N-(3-chlorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C24H25ClN4O/c1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50140659
PNG
(CHEMBL287371 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethy...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC)c2c1C
Show InChI InChI=1S/C18H22N4O/c1-6-23-15-9-7-14(8-10-15)22-12(3)16-11(2)20-21-18(19-5)17(16)13(22)4/h7-10H,6H2,1-5H3,(H,19,21)
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
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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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
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178459
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((tetrahydrof...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCC3CCCO3)c2c1C
Show InChI InChI=1S/C22H28N4O2/c1-5-27-18-10-8-17(9-11-18)26-15(3)20-14(2)24-25-22(21(20)16(26)4)23-13-19-7-6-12-28-19/h8-11,19H,5-7,12-13H2,1-4H3,(H,23,25)
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
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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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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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
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178468
PNG
(CHEMBL382960 | N-(2,3-dihydro-1H-inden-1-yl)-6-(4-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC3CCc4ccccc34)c2c1C
Show InChI InChI=1S/C26H28N4O/c1-5-31-21-13-11-20(12-14-21)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-23-15-10-19-8-6-7-9-22(19)23/h6-9,11-14,23H,5,10,15H2,1-4H3,(H,27,29)
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n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178462
PNG
(CHEMBL201818 | N-butyl-6-(4-ethoxyphenyl)-4,5,7-tr...)
Show SMILES CCCCNc1nnc(C)c2c(C)n(c(C)c12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C21H28N4O/c1-6-8-13-22-21-20-16(5)25(15(4)19(20)14(3)23-24-21)17-9-11-18(12-10-17)26-7-2/h9-12H,6-8,13H2,1-5H3,(H,22,24)
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n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178486
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(quinolin-8-y...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc4cccnc34)c2c1C
Show InChI InChI=1S/C27H27N5O/c1-5-33-23-13-11-22(12-14-23)32-18(3)24-17(2)30-31-27(25(24)19(32)4)29-16-21-9-6-8-20-10-7-15-28-26(20)21/h6-15H,5,16H2,1-4H3,(H,29,31)
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
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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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
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178467
PNG
(1-(6-ethoxy-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyrid...)
Show SMILES CCOn1c(C)c2c(C)nnc(NNCc3cnn(CC)c3)c2c1C
Show InChI InChI=1S/C17H25N7O/c1-6-23-10-14(9-19-23)8-18-21-17-16-13(5)24(25-7-2)12(4)15(16)11(3)20-22-17/h9-10,18H,6-8H2,1-5H3,(H,21,22)
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
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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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
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178481
PNG
(CHEMBL202603 | N-(4-chlorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc(Cl)cc3)c2c1C
Show InChI InChI=1S/C24H25ClN4O/c1-5-30-21-12-10-20(11-13-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-6-8-19(25)9-7-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178484
PNG
(6-(4-ethoxyphenyl)-N-isopropyl-4,5,7-trimethyl-6H-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC(C)C)c2c1C
Show InChI InChI=1S/C20H26N4O/c1-7-25-17-10-8-16(9-11-17)24-14(5)18-13(4)22-23-20(21-12(2)3)19(18)15(24)6/h8-12H,7H2,1-6H3,(H,21,23)
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
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
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178465
PNG
(CHEMBL381840 | N-((4-cyclopropyl-1H-pyrazol-3-yl)m...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3[nH]ncc3C3CC3)c2c1C
Show InChI InChI=1S/C24H28N6O/c1-5-31-19-10-8-18(9-11-19)30-15(3)22-14(2)27-29-24(23(22)16(30)4)25-13-21-20(12-26-28-21)17-6-7-17/h8-12,17H,5-7,13H2,1-4H3,(H,25,29)(H,26,28)
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178449
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((1-methyl-1H...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cnn(C)c3)c2c1C
Show InChI InChI=1S/C22H26N6O/c1-6-29-19-9-7-18(8-10-19)28-15(3)20-14(2)25-26-22(21(20)16(28)4)23-11-17-12-24-27(5)13-17/h7-10,12-13H,6,11H2,1-5H3,(H,23,26)
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n/an/a 69n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178475
PNG
(CHEMBL201992 | N-((1H-indol-4-yl)methyl)-6-(4-etho...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc4[nH]ccc34)c2c1C
Show InChI InChI=1S/C26H27N5O/c1-5-32-21-11-9-20(10-12-21)31-17(3)24-16(2)29-30-26(25(24)18(31)4)28-15-19-7-6-8-23-22(19)13-14-27-23/h6-14,27H,5,15H2,1-4H3,(H,28,30)
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
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
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50140656
PNG
(CHEMBL26552 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccccc3)c2c1C
Show InChI InChI=1S/C23H24N4O/c1-5-28-20-13-11-19(12-14-20)27-16(3)21-15(2)25-26-23(22(21)17(27)4)24-18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,24,26)
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n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin


Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178489
PNG
(CHEMBL202224 | N-(2-methoxybenzyl)-6-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccccc3OC)c2c1C
Show InChI InChI=1S/C25H28N4O2/c1-6-31-21-13-11-20(12-14-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-9-7-8-10-22(19)30-5/h7-14H,6,15H2,1-5H3,(H,26,28)
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n/an/a 76n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
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
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