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Compile Data Set for Download or QSAR

Found 969 hits with Last Name = 'jadhav' and Initial = 's'   
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
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323286
PNG
(3-cyano-5-fluoro-N-m-tolylbenzamide | CHEMBL120920...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C15H11FN2O/c1-10-3-2-4-14(5-10)18-15(19)12-6-11(9-17)7-13(16)8-12/h2-8H,1H3,(H,18,19)
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100n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323308
PNG
(3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide...)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)
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102n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392432
PNG
(CHEMBL2151817)
Show SMILES C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
Show InChI InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1
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153n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50258619
PNG
(3-Cyano-5-fluoro-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)
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157n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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159n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein by scintillation counting in presence of ace...


J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50337958
PNG
(CHEMBL1684242 | N-cyclobutyl-6-((3-fluorophenyl)et...)
Show SMILES Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1
Show InChI InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)
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195n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323289
PNG
(CHEMBL1209202 | N-(3-chlorophenyl)-3-cyano-5-fluor...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1)C#N
Show InChI InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)
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206n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50339075
PNG
(Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...)
Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2
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440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Negative allosteric modulation at rat mGluR5 receptor


ACS Med Chem Lett 1: 433-438 (2010)


Article DOI: 10.1021/ml100181a
BindingDB Entry DOI: 10.7270/Q2DJ5FX7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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1.61E+3n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein by scintillation counting


J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392425
PNG
(CHEMBL2151790)
Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130865
PNG
(CHEMBL3634853)
Show SMILES O=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c([nH]1)-c1ccccc1
Show InChI InChI=1S/C25H19N3O2/c29-24-13-11-21(25(28-24)18-4-2-1-3-5-18)17-6-9-20(10-7-17)30-16-19-8-12-22-23(27-19)14-15-26-22/h1-15,26H,16H2,(H,28,29)
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n/an/a 0.210n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130760
PNG
(CHEMBL3634855)
Show SMILES Clc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3[nH]ccc3n2)cc1
Show InChI InChI=1S/C25H18ClN3O2/c26-18-5-1-17(2-6-18)25-21(10-12-24(30)29-25)16-3-8-20(9-4-16)31-15-19-7-11-22-23(28-19)13-14-27-22/h1-14,27H,15H2,(H,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048260
PNG
(CHEMBL3315045)
Show SMILES Cc1cnc2c(cn(C)c2c1)-c1ccc(Oc2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130759
PNG
(CHEMBL3634854)
Show SMILES Fc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3[nH]ccc3n2)cc1
Show InChI InChI=1S/C25H18FN3O2/c26-18-5-1-17(2-6-18)25-21(10-12-24(30)29-25)16-3-8-20(9-4-16)31-15-19-7-11-22-23(28-19)13-14-27-22/h1-14,27H,15H2,(H,29,30)
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n/an/a 0.330n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM31592
PNG
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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n/an/a 0.370n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
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
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240227
PNG
(CHEMBL4084391)
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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
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130761
PNG
(CHEMBL3634856)
Show SMILES O=c1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c([nH]1)-c1ccncc1
Show InChI InChI=1S/C24H18N4O2/c29-23-8-6-20(24(28-23)17-9-12-25-13-10-17)16-1-4-19(5-2-16)30-15-18-3-7-21-22(27-18)11-14-26-21/h1-14,26H,15H2,(H,28,29)
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n/an/a 0.540n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130763
PNG
(CHEMBL3634858)
Show SMILES Cn1ccc2nc(COc3ccc(cc3)-c3ccc(=O)[nH]c3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C26H20ClN3O2/c1-30-15-14-23-24(30)12-8-20(28-23)16-32-21-9-4-17(5-10-21)22-11-13-25(31)29-26(22)18-2-6-19(27)7-3-18/h2-15H,16H2,1H3,(H,29,31)
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n/an/a 0.730n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50048260
PNG
(CHEMBL3315045)
Show SMILES Cc1cnc2c(cn(C)c2c1)-c1ccc(Oc2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240213
PNG
(CHEMBL4085366)
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
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240224
PNG
(CHEMBL4095856)
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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
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130849
PNG
(CHEMBL3634744)
Show SMILES O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c([nH]1)-c1ccccc1
Show InChI InChI=1S/C27H20N2O2/c30-26-17-16-24(27(29-26)21-7-2-1-3-8-21)19-11-14-23(15-12-19)31-18-22-13-10-20-6-4-5-9-25(20)28-22/h1-17H,18H2,(H,29,30)
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n/an/a 1.10n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130850
PNG
(CHEMBL3634746)
Show SMILES Clc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19ClN2O2/c28-21-10-5-20(6-11-21)27-24(15-16-26(31)30-27)18-8-13-23(14-9-18)32-17-22-12-7-19-3-1-2-4-25(19)29-22/h1-16H,17H2,(H,30,31)
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Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130853
PNG
(CHEMBL3634748)
Show SMILES Fc1cccc(c1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19FN2O2/c28-21-6-3-5-20(16-21)27-24(14-15-26(31)30-27)18-9-12-23(13-10-18)32-17-22-11-8-19-4-1-2-7-25(19)29-22/h1-16H,17H2,(H,30,31)
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Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130860
PNG
(CHEMBL3634847)
Show SMILES O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c([nH]1)-c1ccncc1
Show InChI InChI=1S/C26H19N3O2/c30-25-12-11-23(26(29-25)20-13-15-27-16-14-20)18-6-9-22(10-7-18)31-17-21-8-5-19-3-1-2-4-24(19)28-21/h1-16H,17H2,(H,29,30)
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Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Mus musculus)
BDBM50048260
PNG
(CHEMBL3315045)
Show SMILES Cc1cnc2c(cn(C)c2c1)-c1ccc(Oc2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C25H20N4O/c1-17-14-23-24(28-15-17)22(16-29(23)2)18-5-7-20(8-6-18)30-25-21(4-3-11-27-25)19-9-12-26-13-10-19/h3-16H,1-2H3
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Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048261
PNG
(CHEMBL3315044)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncccc12
Show InChI InChI=1S/C24H18N4O/c1-28-16-21(23-22(28)5-3-12-26-23)17-6-8-19(9-7-17)29-24-20(4-2-13-27-24)18-10-14-25-15-11-18/h2-16H,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130854
PNG
(CHEMBL3634749)
Show SMILES Fc1ccc(c(F)c1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H18F2N2O2/c28-19-8-12-23(24(29)15-19)27-22(13-14-26(32)31-27)17-6-10-21(11-7-17)33-16-20-9-5-18-3-1-2-4-25(18)30-20/h1-15H,16H2,(H,31,32)
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Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM31596
PNG
(substituted pyrazole, 13)
Show SMILES FC(F)(F)Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C26H19F3N4O/c27-26(28,29)17-33-15-23(18-11-13-30-14-12-18)25(32-33)20-6-9-22(10-7-20)34-16-21-8-5-19-3-1-2-4-24(19)31-21/h1-15H,16-17H2
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Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step r...


Bioorg Med Chem Lett 24: 2073-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.054
BindingDB Entry DOI: 10.7270/Q22V2HNB
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130841
PNG
(CHEMBL3634745)
Show SMILES Fc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19FN2O2/c28-21-10-5-20(6-11-21)27-24(15-16-26(31)30-27)18-8-13-23(14-9-18)32-17-22-12-7-19-3-1-2-4-25(19)29-22/h1-16H,17H2,(H,30,31)
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Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50240216
PNG
(CHEMBL4074076)
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
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130762
PNG
(CHEMBL3634857)
Show SMILES Cn1ccc2nc(COc3ccc(cc3)-c3ccc(=O)[nH]c3-c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C26H20FN3O2/c1-30-15-14-23-24(30)12-8-20(28-23)16-32-21-9-4-17(5-10-21)22-11-13-25(31)29-26(22)18-2-6-19(27)7-3-18/h2-15H,16H2,1H3,(H,29,31)
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Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50227631
PNG
(2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...)
Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
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n/an/a 1.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2594-2601 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.068
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130858
PNG
(CHEMBL3634845)
Show SMILES COc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H22N2O3/c1-32-23-12-9-21(10-13-23)28-25(16-17-27(31)30-28)19-7-14-24(15-8-19)33-18-22-11-6-20-4-2-3-5-26(20)29-22/h2-17H,18H2,1H3,(H,30,31)
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n/an/a 1.90n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50227631
PNG
(2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...)
Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130856
PNG
(CHEMBL3634751)
Show SMILES Cc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H22N2O2/c1-19-6-8-22(9-7-19)28-25(16-17-27(31)30-28)20-11-14-24(15-12-20)32-18-23-13-10-21-4-2-3-5-26(21)29-23/h2-17H,18H2,1H3,(H,30,31)
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Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
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
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n/an/a 2n/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))
BDBM50240226
PNG
(CHEMBL4065459)
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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
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447893
PNG
(CHEMBL3114792)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C23H28Cl2N2O3S/c1-3-15-31(29,30)27-13-11-23(12-14-27,18-7-5-4-6-8-18)17(2)26-22(28)20-10-9-19(24)16-21(20)25/h4-10,16-17H,3,11-15H2,1-2H3,(H,26,28)/t17-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Mus musculus)
BDBM50130841
PNG
(CHEMBL3634745)
Show SMILES Fc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19FN2O2/c28-21-10-5-20(6-11-21)27-24(15-16-26(31)30-27)18-8-13-23(14-9-18)32-17-22-12-7-19-3-1-2-4-25(19)29-22/h1-16H,17H2,(H,30,31)
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Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mouse PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 mins by scintillation proximity as...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048258
PNG
(CHEMBL3315046)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc12
Show InChI InChI=1S/C24H17ClN4O/c1-29-15-21(23-22(29)13-18(25)14-28-23)16-4-6-19(7-5-16)30-24-20(3-2-10-27-24)17-8-11-26-12-9-17/h2-15H,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130851
PNG
(CHEMBL3634747)
Show SMILES Fc1ccccc1-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19FN2O2/c28-24-7-3-2-6-23(24)27-22(15-16-26(31)30-27)18-10-13-21(14-11-18)32-17-20-12-9-19-5-1-4-8-25(19)29-20/h1-16H,17H2,(H,30,31)
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n/an/a 2.70n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207335
PNG
(CHEMBL3961834)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OC(C)(C)Cc3c12
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n/an/a 3.20n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50130840
PNG
(CHEMBL3634865)
Show SMILES O=c1ccc(-c2ccncc2)c([nH]1)-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C26H19N3O2/c30-25-12-11-23(18-13-15-27-16-14-18)26(29-25)20-6-9-22(10-7-20)31-17-21-8-5-19-3-1-2-4-24(19)28-21/h1-16H,17H2,(H,29,30)
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n/an/a 3.30n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 ...


J Med Chem 58: 8292-308 (2015)


BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207322
PNG
(CHEMBL3916119)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(C#CC4CC4)c(F)c3)c3OCCOc3c2[nH]1
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n/an/a 3.60n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
CHEMBL4076884
PNG
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n/an/a 3.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2594-2601 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.068
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207343
PNG
(CHEMBL3931344)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
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n/an/a 3.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447910
PNG
(CHEMBL3114969)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccc(Cl)cc1Cl)CC1CC1 |r|
Show InChI InChI=1S/C21H24Cl2N4O3S/c1-26-10-19(25-12-26)31(29,30)27-8-16-17(9-27)21(16,7-13-2-3-13)11-24-20(28)15-5-4-14(22)6-18(15)23/h4-6,10,12-13,16-17H,2-3,7-9,11H2,1H3,(H,24,28)/t16-,17+,21-
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n/an/a 4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4
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
More data for this
Ligand-Target Pair
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