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Compile Data Set for Download or QSAR

Found 702 hits with Last Name = 'brandon' and Initial = 'nj'   
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 phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250606
PNG
(CHEMBL4077342)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250610
PNG
(CHEMBL4076072)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
430n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250608
PNG
(CHEMBL4092589)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
540n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250601
PNG
(CHEMBL4070970)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250600
PNG
(CHEMBL4103050)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50250606
PNG
(CHEMBL4077342)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250603
PNG
(CHEMBL4102693)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250604
PNG
(CHEMBL4084768)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250607
PNG
(CHEMBL4069436)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250599
PNG
(CHEMBL4088863)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250609
PNG
(CHEMBL4105477)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250602
PNG
(CHEMBL4087599)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250597
PNG
(CHEMBL4096664)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250606
PNG
(CHEMBL4077342)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250596
PNG
(CHEMBL4073186)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.70E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50250606
PNG
(CHEMBL4077342)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.80E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250595
PNG
(CHEMBL4100037)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50250606
PNG
(CHEMBL4077342)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
5.90E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50250606
PNG
(CHEMBL4077342)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.20E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250605
PNG
(CHEMBL4075995)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.80E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase phosphatase 5 (MKP5)


(Homo sapiens (Human))
BDBM50250606
PNG
(CHEMBL4077342)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.90E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50441304
PNG
(CHEMBL2431686)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)-c1cccc(Cc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C20H15Cl2F2O3P/c21-18-9-4-14(12-19(18)22)10-13-2-1-3-16(11-13)15-5-7-17(8-6-15)20(23,24)28(25,26)27/h1-9,11-12H,10H2,(H2,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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UniChem
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9.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250594
PNG
(CHEMBL4092285)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250593
PNG
(CHEMBL4091376)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50250598
PNG
(CHEMBL4066498)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50441303
PNG
(CHEMBL2431687)
Show SMILES OC(c1cccc(c1)-c1ccc(cc1)C(F)(F)P(O)(O)=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2F2O4P/c21-17-9-6-15(11-18(17)22)19(25)14-3-1-2-13(10-14)12-4-7-16(8-5-12)20(23,24)29(26,27)28/h1-11,19,25H,(H2,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL




J Med Chem 60: 9299-9319 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01292
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357868
PNG
(CHEMBL1916128)
Show SMILES COc1cc(OCc2ccccc2)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n21
Show InChI InChI=1S/C26H24N4O2/c1-16-21(11-8-12-27-16)26-29-18(3)25-17(2)28-24-22(30(25)26)13-20(14-23(24)31-4)32-15-19-9-6-5-7-10-19/h5-14H,15H2,1-4H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357869
PNG
(CHEMBL1916129)
Show SMILES COc1cc(OC(F)F)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n21
Show InChI InChI=1S/C20H18F2N4O2/c1-10-14(6-5-7-23-10)19-25-12(3)18-11(2)24-17-15(26(18)19)8-13(28-20(21)22)9-16(17)27-4/h5-9,20H,1-4H3
PDB
MMDB

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PC sid
UniChem
Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357870
PNG
(CHEMBL1916130)
Show SMILES COc1cc(cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n21)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O/c1-10-9-24-6-5-14(10)19-26-12(3)18-11(2)25-17-15(27(18)19)7-13(20(21,22)23)8-16(17)28-4/h5-9H,1-4H3
PDB
MMDB

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n/an/a 0.0900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357867
PNG
(CHEMBL1916127)
Show SMILES COc1cc(cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n21)N1CCOCC1
Show InChI InChI=1S/C23H25N5O2/c1-14-18(6-5-7-24-14)23-26-16(3)22-15(2)25-21-19(28(22)23)12-17(13-20(21)29-4)27-8-10-30-11-9-27/h5-7,12-13H,8-11H2,1-4H3
PDB
MMDB

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Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357865
PNG
(CHEMBL1916125)
Show SMILES COc1cc(OC)c2nc(C)c3c(C)nc(-c4cccnc4C)n3c2c1
Show InChI InChI=1S/C20H20N4O2/c1-11-15(7-6-8-21-11)20-23-13(3)19-12(2)22-18-16(24(19)20)9-14(25-4)10-17(18)26-5/h6-10H,1-5H3
PDB
MMDB

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n/an/a 0.140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357864
PNG
(CHEMBL1916124)
Show SMILES COc1cc(OC)c2nc(C)c3c(C)nc(-c4ccncc4C)n3c2c1
Show InChI InChI=1S/C20H20N4O2/c1-11-10-21-7-6-15(11)20-23-13(3)19-12(2)22-18-16(24(19)20)8-14(25-4)9-17(18)26-5/h6-10H,1-5H3
PDB
MMDB

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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50390812
PNG
(CHEMBL2069321)
Show SMILES COc1cc(OC)c2nnc3c(C)nc(-c4ccccc4Cl)n3c2c1
Show InChI InChI=1S/C18H15ClN4O2/c1-10-17-22-21-16-14(8-11(24-2)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-13(12)19/h4-9H,1-3H3
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n/an/a 0.280n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis


Bioorg Med Chem Lett 22: 5876-84 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.076
BindingDB Entry DOI: 10.7270/Q2FB5413
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357857
PNG
(CHEMBL1916117)
Show SMILES COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccccc3C)n21
Show InChI InChI=1S/C20H18FN3O/c1-11-7-5-6-8-15(11)20-23-13(3)19-12(2)22-18-16(24(19)20)9-14(21)10-17(18)25-4/h5-10H,1-4H3
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n/an/a 0.350n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357863
PNG
(CHEMBL1916123)
Show SMILES COc1cc(OC)c2nc(C)c3c(C)nc(-c4cnccc4C)n3c2c1
Show InChI InChI=1S/C20H20N4O2/c1-11-6-7-21-10-15(11)20-23-13(3)19-12(2)22-18-16(24(19)20)8-14(25-4)9-17(18)26-5/h6-10H,1-5H3
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357854
PNG
(CHEMBL1916114)
Show SMILES COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n21
Show InChI InChI=1S/C19H17FN4O/c1-10-14(6-5-7-21-10)19-23-12(3)18-11(2)22-17-15(24(18)19)8-13(20)9-16(17)25-4/h5-9H,1-4H3
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n/an/a 0.550n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357803
PNG
(CHEMBL1916113)
Show SMILES COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n21
Show InChI InChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357871
PNG
(CHEMBL1916131)
Show SMILES COc1cc(Cl)c2nc(C)c3c(C)nc(-c4ccncc4C)n3c2c1
Show InChI InChI=1S/C19H17ClN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(20)7-13(25-4)8-16(17)24(18)19/h5-9H,1-4H3
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357856
PNG
(CHEMBL1916116)
Show SMILES COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3c(C)nn(C)c3C)n21 |(13.56,-14.42,;12.23,-15.2,;12.23,-16.74,;10.9,-17.51,;10.9,-19.05,;9.57,-19.82,;12.23,-19.82,;13.56,-19.05,;13.57,-17.5,;14.9,-16.73,;16.24,-17.5,;17.57,-16.74,;16.24,-19.05,;17.38,-20.09,;18.89,-19.78,;16.75,-21.5,;15.21,-21.33,;14.29,-22.56,;14.74,-24.04,;16.2,-24.54,;13.48,-24.92,;12.25,-23.99,;10.78,-24.44,;12.75,-22.54,;11.87,-21.28,;14.9,-19.82,)|
Show InChI InChI=1S/C19H20FN5O/c1-9-16(12(4)24(5)23-9)19-22-11(3)18-10(2)21-17-14(25(18)19)7-13(20)8-15(17)26-6/h7-8H,1-6H3
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n/an/a 0.850n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50390818
PNG
(CHEMBL2070655)
Show SMILES COc1cc(cc2c1nnc1c(C)nc(-c3ccccc3Cl)n21)N1CCOCC1
Show InChI InChI=1S/C21H20ClN5O2/c1-13-20-25-24-19-17(27(20)21(23-13)15-5-3-4-6-16(15)22)11-14(12-18(19)28-2)26-7-9-29-10-8-26/h3-6,11-12H,7-10H2,1-2H3
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n/an/a 0.850n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis


Bioorg Med Chem Lett 22: 5876-84 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.076
BindingDB Entry DOI: 10.7270/Q2FB5413
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 1.30n/an/an/an/an/an/a



Biotie Therapies GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillatio...


J Med Chem 53: 4399-411 (2010)


Article DOI: 10.1021/jm1002793
BindingDB Entry DOI: 10.7270/Q2MK6D3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50319169
PNG
(3,4-Dimethoxy-1-isobutyl-8-methoxy-imidazo[1,5-a]p...)
Show SMILES COc1ccc2nc(C)c3c(C)nc(CC(C)C)n3c2n1
Show InChI InChI=1S/C16H20N4O/c1-9(2)8-13-18-11(4)15-10(3)17-12-6-7-14(21-5)19-16(12)20(13)15/h6-7,9H,8H2,1-5H3
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n/an/a 1.40n/an/an/an/an/an/a



Biotie Therapies GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillatio...


J Med Chem 53: 4399-411 (2010)


Article DOI: 10.1021/jm1002793
BindingDB Entry DOI: 10.7270/Q2MK6D3N
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50390834
PNG
(CHEMBL2070651)
Show SMILES COc1cc(OC)c2nnc3c(C)nc(-c4cccnc4C)n3c2c1
Show InChI InChI=1S/C18H17N5O2/c1-10-13(6-5-7-19-10)18-20-11(2)17-22-21-16-14(23(17)18)8-12(24-3)9-15(16)25-4/h5-9H,1-4H3
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n/an/a 1.48n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis


Bioorg Med Chem Lett 22: 5876-84 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.076
BindingDB Entry DOI: 10.7270/Q2FB5413
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50390829
PNG
(CHEMBL2070666)
Show SMILES COc1cc(cc2c1nnc1c(C)nc(-c3ccncc3C)n21)C(F)(F)F
Show InChI InChI=1S/C18H14F3N5O/c1-9-8-22-5-4-12(9)17-23-10(2)16-25-24-15-13(26(16)17)6-11(18(19,20)21)7-14(15)27-3/h4-8H,1-3H3
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n/an/a 1.48n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis


Bioorg Med Chem Lett 22: 5876-84 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.076
BindingDB Entry DOI: 10.7270/Q2FB5413
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357875
PNG
(CHEMBL1916135)
Show SMILES COc1cc(F)c2nc(C)c3c(C)nc(-c4cccnc4C)n3c2c1
Show InChI InChI=1S/C19H17FN4O/c1-10-14(6-5-7-21-10)19-23-12(3)18-11(2)22-17-15(20)8-13(25-4)9-16(17)24(18)19/h5-9H,1-4H3
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357855
PNG
(CHEMBL1916115)
Show SMILES COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3sc(C)nc3C)n21
Show InChI InChI=1S/C18H17FN4OS/c1-8-16-9(2)22-18(17-10(3)20-11(4)25-17)23(16)13-6-12(19)7-14(24-5)15(13)21-8/h6-7H,1-5H3
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50390817
PNG
(CHEMBL2070654)
Show SMILES COc1cc(cc2c1nnc1c(C)nc(-c3ccccc3C)n21)N1CCOCC1
Show InChI InChI=1S/C22H23N5O2/c1-14-6-4-5-7-17(14)22-23-15(2)21-25-24-20-18(27(21)22)12-16(13-19(20)28-3)26-8-10-29-11-9-26/h4-7,12-13H,8-11H2,1-3H3
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n/an/a 1.53n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis


Bioorg Med Chem Lett 22: 5876-84 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.076
BindingDB Entry DOI: 10.7270/Q2FB5413
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50390827
PNG
(CHEMBL2070664)
Show SMILES COc1cc(F)cc2c1nnc1c(C)nc(-c3sccc3C)n21
Show InChI InChI=1S/C16H13FN4OS/c1-8-4-5-23-14(8)16-18-9(2)15-20-19-13-11(21(15)16)6-10(17)7-12(13)22-3/h4-7H,1-3H3
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n/an/a 1.65n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis


Bioorg Med Chem Lett 22: 5876-84 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.076
BindingDB Entry DOI: 10.7270/Q2FB5413
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357866
PNG
(CHEMBL1916126)
Show SMILES COc1cc(cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n21)N1CCOCC1
Show InChI InChI=1S/C23H25N5O2/c1-14-13-24-6-5-18(14)23-26-16(3)22-15(2)25-21-19(28(22)23)11-17(12-20(21)29-4)27-7-9-30-10-8-27/h5-6,11-13H,7-10H2,1-4H3
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)


Article DOI: 10.1021/jm2009138
BindingDB Entry DOI: 10.7270/Q2125T2B
More data for this
Ligand-Target Pair
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