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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'sharik' and Initial = 'ss'   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM126826
PNG
(US8785467, 1-29)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C23H24ClN5OS/c1-14-21(24)28-23(29-22(14)25-13-20-15(2)26-16(3)31-20)30-12-6-8-18-11-10-17-7-4-5-9-19(17)27-18/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,25,28,29)
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0.00820n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM126825
PNG
(US8785467, 1-27)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4[nH]3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H23ClN6OS/c1-12-19(22)27-21(28-20(12)23-11-17-13(2)24-14(3)30-17)29-10-6-9-18-25-15-7-4-5-8-16(15)26-18/h4-5,7-8H,6,9-11H2,1-3H3,(H,25,26)(H,23,27,28)
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0.0200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315401
PNG
((R)-1-((2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(Cn4c5cccc6NC(=O)Cn(c56)c4=O)nc3cc2C1 |r|
Show InChI InChI=1S/C28H20N6O3/c35-23-14-34-24-20(31-23)4-1-5-22(24)33(27(34)37)13-18-7-6-15-9-16-11-28(12-17(16)10-21(15)30-18)19-3-2-8-29-25(19)32-26(28)36/h1-10H,11-14H2,(H,31,35)(H,29,32,36)/t28-/m1/s1
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0.0230n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50254445
PNG
((S)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...)
Show SMILES O=C(Cn1c2cccc3NC(=O)Cn(c23)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C26H20N6O4/c33-20(12-31-19-5-1-4-18-22(19)32(25(31)36)13-21(34)29-18)28-16-7-6-14-10-26(11-15(14)9-16)17-3-2-8-27-23(17)30-24(26)35/h1-9H,10-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t26-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM126827
PNG
(US8785467, 1-32)
Show SMILES Cc1nc(C)c(CNc2nc(OCCOc3ccc4cccnc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H21ClN6O2S/c1-12-18(22)27-21(28-19(12)24-11-16-13(2)25-14(3)31-16)30-10-9-29-17-7-6-15-5-4-8-23-20(15)26-17/h4-8H,9-11H2,1-3H3,(H,24,27,28)
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0.0400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124648
PNG
(CHEMBL3622901)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3cn4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H23ClN6OS/c1-13-19(22)26-21(27-20(13)23-11-17-14(2)24-15(3)30-17)29-10-6-7-16-12-28-9-5-4-8-18(28)25-16/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,23,26,27)
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0.0470n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124649
PNG
(CHEMBL3622902)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4s3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H22ClN5OS2/c1-12-19(22)26-21(27-20(12)23-11-17-13(2)24-14(3)29-17)28-10-6-9-18-25-15-7-4-5-8-16(15)30-18/h4-5,7-8H,6,9-11H2,1-3H3,(H,23,26,27)
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0.0550n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315409
PNG
(2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[...)
Show SMILES CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23 |r|
Show InChI InChI=1S/C31H27N5O2/c1-2-30-15-26(37)34-23-6-3-7-25(27(23)30)36(17-30)16-21-9-8-18-11-19-13-31(14-20(19)12-24(18)33-21)22-5-4-10-32-28(22)35-29(31)38/h3-12H,2,13-17H2,1H3,(H,34,37)(H,32,35,38)/t30?,31-/m1/s1
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0.0720n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124650
PNG
(CHEMBL3622903)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3ccc4cccnc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C22H23ClN6OS/c1-13-19(23)28-22(29-20(13)25-12-18-14(2)26-15(3)31-18)30-11-5-7-17-9-8-16-6-4-10-24-21(16)27-17/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,25,28,29)
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0.110n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315407
PNG
(2a-methyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro...)
Show SMILES CC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23 |r|
Show InChI InChI=1S/C30H25N5O2/c1-29-14-25(36)33-22-5-2-6-24(26(22)29)35(16-29)15-20-8-7-17-10-18-12-30(13-19(18)11-23(17)32-20)21-4-3-9-31-27(21)34-28(30)37/h2-11H,12-16H2,1H3,(H,33,36)(H,31,34,37)/t29?,30-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315400
PNG
((S)-1-((3'-methyl-2',5'-dioxo-6,8-dihydrospiro[cyc...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(Cn4c5cccc6NC(=O)Cn(c56)c4=O)nc3cc2C1 |r|
Show InChI InChI=1S/C25H20N6O4/c1-29-23(34)28-22(33)25(29)9-14-7-13-5-6-16(26-18(13)8-15(14)10-25)11-30-19-4-2-3-17-21(19)31(24(30)35)12-20(32)27-17/h2-8H,9-12H2,1H3,(H,27,32)(H,28,33,34)/t25-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124651
PNG
(CHEMBL3622904)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3cnc4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C22H23ClN6OS/c1-13-20(23)28-22(29-21(13)25-12-19-14(2)26-15(3)31-19)30-10-6-7-16-11-24-17-8-4-5-9-18(17)27-16/h4-5,8-9,11H,6-7,10,12H2,1-3H3,(H,25,28,29)
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0.370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315403
PNG
((R)-6-methyl-1-((2'-oxo-1',2',6,8-tetrahydrospiro[...)
Show SMILES CN1C(=O)Cn2c3c1cccc3n(Cc1ccc3cc4C[C@]5(Cc4cc3n1)C(=O)Nc1ncccc51)c2=O |r|
Show InChI InChI=1S/C29H22N6O3/c1-33-22-5-2-6-23-25(22)35(15-24(33)36)28(38)34(23)14-19-8-7-16-10-17-12-29(13-18(17)11-21(16)31-19)20-4-3-9-30-26(20)32-27(29)37/h2-11H,12-15H2,1H3,(H,30,32,37)/t29-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50246422
PNG
((R)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc5NC(=O)Cn(c45)c3=O)cc2C1 |r|
Show InChI InChI=1S/C23H20N6O5/c1-27-21(33)26-20(32)23(27)8-12-5-6-14(7-13(12)9-23)24-17(30)10-28-16-4-2-3-15-19(16)29(22(28)34)11-18(31)25-15/h2-7H,8-11H2,1H3,(H,24,30)(H,25,31)(H,26,32,33)/t23-/m1/s1
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0.510n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315406
PNG
((4'S)-3'-methyl-2-((2a-methyl-4-oxo-2a,3,4,5-tetra...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(CN4CC5(C)CC(=O)Nc6cccc4c56)nc3cc2C1 |r|
Show InChI InChI=1S/C27H25N5O3/c1-26-12-22(33)29-19-4-3-5-21(23(19)26)32(14-26)13-18-7-6-15-8-16-10-27(11-17(16)9-20(15)28-18)24(34)30-25(35)31(27)2/h3-9H,10-14H2,1-2H3,(H,29,33)(H,30,34,35)/t26?,27-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315405
PNG
(1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopent...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4CC5CC(=O)Nc6cccc4c56)nc3cc2C1 |r|
Show InChI InChI=1S/C29H23N5O2/c35-25-11-19-14-34(24-5-1-4-22(32-25)26(19)24)15-20-7-6-16-9-17-12-29(13-18(17)10-23(16)31-20)21-3-2-8-30-27(21)33-28(29)36/h1-10,19H,11-15H2,(H,32,35)(H,30,33,36)/t19?,29-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315408
PNG
((4'S)-2-((2a-ethyl-4-oxo-2a,3,4,5-tetrahydropyrrol...)
Show SMILES CCC12CN(Cc3ccc4cc5C[C@@]6(Cc5cc4n3)N(C)C(=O)NC6=O)c3cccc(NC(=O)C1)c23 |r|
Show InChI InChI=1S/C28H27N5O3/c1-3-27-13-23(34)30-20-5-4-6-22(24(20)27)33(15-27)14-19-8-7-16-9-17-11-28(12-18(17)10-21(16)29-19)25(35)31-26(36)32(28)2/h4-10H,3,11-15H2,1-2H3,(H,30,34)(H,31,35,36)/t27?,28-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315399
PNG
((R)-2-((2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl)...)
Show SMILES O=C1Nc2ncccc2[C@]11Cc2cc3ccc(CN4C(=O)CCc5ccccc45)nc3cc2C1 |r|
Show InChI InChI=1S/C28H22N4O2/c33-25-10-8-17-4-1-2-6-24(17)32(25)16-21-9-7-18-12-19-14-28(15-20(19)13-23(18)30-21)22-5-3-11-29-26(22)31-27(28)34/h1-7,9,11-13H,8,10,14-16H2,(H,29,31,34)/t28-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315404
PNG
((4'S)-3'-methyl-2-((4-oxo-2a,3,4,5-tetrahydropyrro...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(CN4CC5CC(=O)Nc6cccc4c56)nc3cc2C1 |r|
Show InChI InChI=1S/C26H23N5O3/c1-30-25(34)29-24(33)26(30)10-15-7-14-5-6-18(27-20(14)8-16(15)11-26)13-31-12-17-9-22(32)28-19-3-2-4-21(31)23(17)19/h2-8,17H,9-13H2,1H3,(H,28,32)(H,29,33,34)/t17?,26-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124644
PNG
(CHEMBL3622894)
Show SMILES Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)s1
Show InChI InChI=1S/C18H20ClN5OS/c1-11-16(19)23-18(25-9-7-14-6-4-5-8-20-14)24-17(11)21-10-15-12(2)22-13(3)26-15/h4-6,8H,7,9-10H2,1-3H3,(H,21,23,24)
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315402
PNG
((S)-6-methyl-1-((3'-methyl-2',5'-dioxo-6,8-dihydro...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(Cn4c5cccc6N(C)C(=O)Cn(c56)c4=O)nc3cc2C1 |r|
Show InChI InChI=1S/C26H22N6O4/c1-29-19-4-3-5-20-22(19)32(13-21(29)33)25(36)31(20)12-17-7-6-14-8-15-10-26(11-16(15)9-18(14)27-17)23(34)28-24(35)30(26)2/h3-9H,10-13H2,1-2H3,(H,28,34,35)/t26-/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124629
PNG
(CHEMBL3622879)
Show SMILES Cc1nc(C)c(CNc2nc(nc(Cl)c2C)C2CC2)s1
Show InChI InChI=1S/C14H17ClN4S/c1-7-12(15)18-14(10-4-5-10)19-13(7)16-6-11-8(2)17-9(3)20-11/h10H,4-6H2,1-3H3,(H,16,18,19)
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4.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124641
PNG
(CHEMBL3622891)
Show SMILES CCCOc1nc(Cl)c(C)c(NCc2sc(C)nc2C)n1
Show InChI InChI=1S/C14H19ClN4OS/c1-5-6-20-14-18-12(15)8(2)13(19-14)16-7-11-9(3)17-10(4)21-11/h5-7H2,1-4H3,(H,16,18,19)
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5.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124642
PNG
(CHEMBL3622892)
Show SMILES COc1nc(Cl)c(C)c(NCc2sc(C)nc2C)n1
Show InChI InChI=1S/C12H15ClN4OS/c1-6-10(13)16-12(18-4)17-11(6)14-5-9-7(2)15-8(3)19-9/h5H2,1-4H3,(H,14,16,17)
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8.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315398
PNG
((S)-3'-methyl-2-((2-oxo-3,4-dihydroquinolin-1(2H)-...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(CN4C(=O)CCc5ccccc45)nc3cc2C1 |r|
Show InChI InChI=1S/C25H22N4O3/c1-28-24(32)27-23(31)25(28)12-17-10-16-6-8-19(26-20(16)11-18(17)13-25)14-29-21-5-3-2-4-15(21)7-9-22(29)30/h2-6,8,10-11H,7,9,12-14H2,1H3,(H,27,31,32)/t25-/m0/s1
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8.90n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124646
PNG
(CHEMBL3622896)
Show SMILES Cc1nc(C)c(CNc2nc(OCCc3ccccc3)nc(Cl)c2C)s1
Show InChI InChI=1S/C19H21ClN4OS/c1-12-17(20)23-19(25-10-9-15-7-5-4-6-8-15)24-18(12)21-11-16-13(2)22-14(3)26-16/h4-8H,9-11H2,1-3H3,(H,21,23,24)
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9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124638
PNG
(CHEMBL3622888)
Show SMILES COc1ncc(CNc2nc(nc(Cl)c2C)C2CC2)s1
Show InChI InChI=1S/C13H15ClN4OS/c1-7-10(14)17-12(8-3-4-8)18-11(7)15-5-9-6-16-13(19-2)20-9/h6,8H,3-5H2,1-2H3,(H,15,17,18)
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124643
PNG
(CHEMBL3622893)
Show SMILES Cc1nc(C)c(CNc2nc(OCCO)nc(Cl)c2C)s1
Show InChI InChI=1S/C13H17ClN4O2S/c1-7-11(14)17-13(20-5-4-19)18-12(7)15-6-10-8(2)16-9(3)21-10/h19H,4-6H2,1-3H3,(H,15,17,18)
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315397
PNG
((R)-3'-methyl-2-((2-oxo-3-(pyridin-2-yl)-2,3-dihyd...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2cc3ccc(Cn4c5ccccc5n(-c5ccccn5)c4=O)nc3cc2C1 |r|
Show InChI InChI=1S/C28H22N6O3/c1-32-26(36)31-25(35)28(32)14-18-12-17-9-10-20(30-21(17)13-19(18)15-28)16-33-22-6-2-3-7-23(22)34(27(33)37)24-8-4-5-11-29-24/h2-13H,14-16H2,1H3,(H,31,35,36)/t28-/m1/s1
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17n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124639
PNG
(CHEMBL3622889)
Show SMILES Cc1nc(CNc2nc(nc(Cl)c2C)C2CC2)cs1
Show InChI InChI=1S/C13H15ClN4S/c1-7-11(14)17-13(9-3-4-9)18-12(7)15-5-10-6-19-8(2)16-10/h6,9H,3-5H2,1-2H3,(H,15,17,18)
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50195956
PNG
((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4ccccn4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C26H22N6O4/c1-30-24(35)29-23(34)26(30)13-16-9-10-18(12-17(16)14-26)28-22(33)15-31-19-6-2-3-7-20(19)32(25(31)36)21-8-4-5-11-27-21/h2-12H,13-15H2,1H3,(H,28,33)(H,29,34,35)/t26-/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124635
PNG
(CHEMBL3622885)
Show SMILES Cc1ncc(CNc2nc(nc(Cl)c2C)C2CC2)s1
Show InChI InChI=1S/C13H15ClN4S/c1-7-11(14)17-13(9-3-4-9)18-12(7)16-6-10-5-15-8(2)19-10/h5,9H,3-4,6H2,1-2H3,(H,16,17,18)
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26n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124701
PNG
(CHEMBL3621552)
Show SMILES Cc1c(Cl)nc(nc1NCc1cnn(C)c1)C1CC1
Show InChI InChI=1S/C13H16ClN5/c1-8-11(14)17-13(10-3-4-10)18-12(8)15-5-9-6-16-19(2)7-9/h6-7,10H,3-5H2,1-2H3,(H,15,17,18)
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37n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124627
PNG
(CHEMBL3622877)
Show SMILES Cc1cc(CNc2nc(nc(Cl)c2C)C2CC2)on1
Show InChI InChI=1S/C13H15ClN4O/c1-7-5-10(19-18-7)6-15-12-8(2)11(14)16-13(17-12)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16,17)
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38n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124631
PNG
(CHEMBL3622881)
Show SMILES Cc1cc(CNc2nc(nc(Cl)c2C)C2CC2)no1
Show InChI InChI=1S/C13H15ClN4O/c1-7-5-10(18-19-7)6-15-12-8(2)11(14)16-13(17-12)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16,17)
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51n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315392
PNG
((R)-N-(4'-fluoro-3-methyl-2,5-dioxo-1',3'-dihydros...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4ccccn4)c3=O)c(F)c2C1 |r|
Show InChI InChI=1S/C26H21FN6O4/c1-31-24(36)30-23(35)26(31)12-15-9-10-17(22(27)16(15)13-26)29-21(34)14-32-18-6-2-3-7-19(18)33(25(32)37)20-8-4-5-11-28-20/h2-11H,12-14H2,1H3,(H,29,34)(H,30,35,36)/t26-/m1/s1
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55n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124633
PNG
(CHEMBL3622883)
Show SMILES Cc1ccc(CNc2nc(nc(Cl)c2C)C2CC2)cn1
Show InChI InChI=1S/C15H17ClN4/c1-9-3-4-11(7-17-9)8-18-14-10(2)13(16)19-15(20-14)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,19,20)
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130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124700
PNG
(CHEMBL3621551)
Show SMILES Cc1c(Cl)nc(nc1NCC(F)=C)C1CC1
Show InChI InChI=1S/C11H13ClFN3/c1-6(13)5-14-10-7(2)9(12)15-11(16-10)8-3-4-8/h8H,1,3-5H2,2H3,(H,14,15,16)
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180n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315396
PNG
(3'-methyl-2-((2-oxo-3-(pyridin-2-yl)-2,3-dihydro-1...)
Show SMILES CN1C(=O)NC(=O)C11Cc2cc3ncc(Cn4c5ccccc5n(-c5ccccn5)c4=O)nc3cc2C1
Show InChI InChI=1S/C27H21N7O3/c1-32-25(36)31-24(35)27(32)12-16-10-19-20(11-17(16)13-27)30-18(14-29-19)15-33-21-6-2-3-7-22(21)34(26(33)37)23-8-4-5-9-28-23/h2-11,14H,12-13,15H2,1H3,(H,31,35,36)
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185n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124703
PNG
(CHEMBL3621554)
Show SMILES Cc1c(Cl)nc(nc1NCc1ccncc1)C1CC1
Show InChI InChI=1S/C14H15ClN4/c1-9-12(15)18-14(11-2-3-11)19-13(9)17-8-10-4-6-16-7-5-10/h4-7,11H,2-3,8H2,1H3,(H,17,18,19)
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200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124626
PNG
(CHEMBL3622876)
Show SMILES CN(Cc1cnn(C)c1)c1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C14H18ClN5/c1-9-12(15)17-13(11-4-5-11)18-14(9)19(2)7-10-6-16-20(3)8-10/h6,8,11H,4-5,7H2,1-3H3
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220n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315394
PNG
((S)-3-methyl-2'-((2-oxo-3-(pyridin-2-yl)-2,3-dihyd...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2cc3nc(Cn4c5ccccc5n(-c5ccccn5)c4=O)[nH]c3cc2C1 |r|
Show InChI InChI=1S/C26H21N7O3/c1-31-24(35)30-23(34)26(31)12-15-10-17-18(11-16(15)13-26)29-21(28-17)14-32-19-6-2-3-7-20(19)33(25(32)36)22-8-4-5-9-27-22/h2-11H,12-14H2,1H3,(H,28,29)(H,30,34,35)
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320n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124647
PNG
(CHEMBL3622897)
Show SMILES Cc1nc(C)c(CNc2nc(OCCC3CCCCC3)nc(Cl)c2C)s1
Show InChI InChI=1S/C19H27ClN4OS/c1-12-17(20)23-19(25-10-9-15-7-5-4-6-8-15)24-18(12)21-11-16-13(2)22-14(3)26-16/h15H,4-11H2,1-3H3,(H,21,23,24)
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400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124628
PNG
(CHEMBL3622878)
Show SMILES CN(Cc1cc(C)no1)c1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C14H17ClN4O/c1-8-6-11(20-18-8)7-19(3)14-9(2)12(15)16-13(17-14)10-4-5-10/h6,10H,4-5,7H2,1-3H3
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540n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124645
PNG
(CHEMBL3622895)
Show SMILES Cc1nc(C)c(CNc2nc(OCCC3CCCCN3)nc(Cl)c2C)s1
Show InChI InChI=1/C18H26ClN5OS/c1-11-16(19)23-18(25-9-7-14-6-4-5-8-20-14)24-17(11)21-10-15-12(2)22-13(3)26-15/h14,20H,4-10H2,1-3H3,(H,21,23,24)
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590n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124698
PNG
(CHEMBL3621549)
Show SMILES Cc1c(Cl)nc(nc1NCc1ccoc1)C1CC1
Show InChI InChI=1S/C13H14ClN3O/c1-8-11(14)16-13(10-2-3-10)17-12(8)15-6-9-4-5-18-7-9/h4-5,7,10H,2-3,6H2,1H3,(H,15,16,17)
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680n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315393
PNG
((S)-N-(5'-fluoro-3-methyl-2,5-dioxo-1',3'-dihydros...)
Show SMILES CN1C(=O)NC(=O)[C@]11Cc2cc(F)c(NC(=O)Cn3c4ccccc4n(-c4ccccn4)c3=O)cc2C1 |r|
Show InChI InChI=1S/C26H21FN6O4/c1-31-24(36)30-23(35)26(31)12-15-10-17(27)18(11-16(15)13-26)29-22(34)14-32-19-6-2-3-7-20(19)33(25(32)37)21-8-4-5-9-28-21/h2-11H,12-14H2,1H3,(H,29,34)(H,30,35,36)/t26-/m1/s1
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720n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124632
PNG
(CHEMBL3622882)
Show SMILES Cc1c(Cl)nc(nc1NCc1ccon1)C1CC1
Show InChI InChI=1S/C12H13ClN4O/c1-7-10(13)15-12(8-2-3-8)16-11(7)14-6-9-4-5-18-17-9/h4-5,8H,2-3,6H2,1H3,(H,14,15,16)
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810n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124697
PNG
(CHEMBL3621548)
Show SMILES CCCNc1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C11H16ClN3/c1-3-6-13-10-7(2)9(12)14-11(15-10)8-4-5-8/h8H,3-6H2,1-2H3,(H,13,14,15)
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880n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124625
PNG
(CHEMBL3621555)
Show SMILES CC(Nc1nc(nc(Cl)c1C)C1CC1)c1ccncc1
Show InChI InChI=1/C15H17ClN4/c1-9-13(16)19-15(12-3-4-12)20-14(9)18-10(2)11-5-7-17-8-6-11/h5-8,10,12H,3-4H2,1-2H3,(H,18,19,20)
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890n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
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