BindingDB logo
myBDB logout

Patent code US8846000

Compile Data Set for Download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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))		BDBM135609
PNG
(US8846000, G-2)
Show SMILES CC(C)Oc1cccc2C(=O)N(CCc3nc4cc(C)ccc4c(=O)n3-c3ccc4cnn(C)c4c3)C(=O)c12
Show InChI InChI=1S/C30H27N5O4/c1-17(2)39-25-7-5-6-22-27(25)30(38)34(28(22)36)13-12-26-32-23-14-18(3)8-11-21(23)29(37)35(26)20-10-9-19-16-31-33(4)24(19)15-20/h5-11,14-17H,12-13H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.0240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135597
PNG
(US8846000, 1-13)
Show SMILES COc1ccc2c(c1)nc(CCN1C(=O)c3cccc(OC(C)C)c3C1=O)n(-c1ccc3cc[nH]c3c1)c2=O
Show InChI InChI=1S/C30H26N4O5/c1-17(2)39-25-6-4-5-22-27(25)30(37)33(28(22)35)14-12-26-32-24-16-20(38-3)9-10-21(24)29(36)34(26)19-8-7-18-11-13-31-23(18)15-19/h4-11,13,15-17,31H,12,14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.0550n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135600
PNG
(US8846000, 1-16)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(c3C2=O)-c2ccncc2)nc2ccccc2c1=O
Show InChI InChI=1S/C30H22N4O4/c1-38-21-11-9-20(10-12-21)34-26(32-25-8-3-2-5-23(25)29(34)36)15-18-33-28(35)24-7-4-6-22(27(24)30(33)37)19-13-16-31-17-14-19/h2-14,16-17H,15,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.0730n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135598
PNG
(US8846000, 1-14)
Show SMILES COc1ccc2c(c1)nc(CCN1C(=O)c3cccc(OC(C)C)c3C1=O)n(-c1cccc(C)c1)c2=O
Show InChI InChI=1S/C29H27N3O5/c1-17(2)37-24-10-6-9-22-26(24)29(35)31(27(22)33)14-13-25-30-23-16-20(36-4)11-12-21(23)28(34)32(25)19-8-5-7-18(3)15-19/h5-12,15-17H,13-14H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.0770n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135606
PNG
(US8846000, 1-24)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2cc(C)ccc2c1=O
Show InChI InChI=1S/C29H27N3O5/c1-17(2)37-24-7-5-6-22-26(24)29(35)31(27(22)33)15-14-25-30-23-16-18(3)8-13-21(23)28(34)32(25)19-9-11-20(36-4)12-10-19/h5-13,16-17H,14-15H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135608
PNG
(US8846000, G-1)
Show SMILES CC(C)Oc1cccc2C(=O)N(CCc3nc4cc(C)ccc4c(=O)n3-c3ccc4cn[nH]c4c3)C(=O)c12
Show InChI InChI=1S/C29H25N5O4/c1-16(2)38-24-6-4-5-21-26(24)29(37)33(27(21)35)12-11-25-31-23-13-17(3)7-10-20(23)28(36)34(25)19-9-8-18-15-30-32-22(18)14-19/h4-10,13-16H,11-12H2,1-3H3,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
US Patent
 0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135614
PNG
(US8846000, D-7)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C28H25N3O5/c1-17(2)36-23-10-6-8-21-25(23)28(34)30(26(21)32)16-15-24-29-22-9-5-4-7-20(22)27(33)31(24)18-11-13-19(35-3)14-12-18/h4-14,17H,15-16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
US Patent
 0.150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135596
PNG
(US8846000, 1-12)
Show SMILES CC(C)Oc1cccc2C(=O)N(CCc3nc4ccccc4c(=O)n3-c3ccc(OCCF)cc3)C(=O)c12
Show InChI InChI=1S/C29H26FN3O5/c1-18(2)38-24-9-5-7-22-26(24)29(36)32(27(22)34)16-14-25-31-23-8-4-3-6-21(23)28(35)33(25)19-10-12-20(13-11-19)37-17-15-30/h3-13,18H,14-17H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135613
PNG
(US8846000, D-6)
Show SMILES CC(C)Oc1cccc2C(=O)N(CCc3nc4ccccc4c(=O)n3-c3ccc(O)cc3)C(=O)c12
Show InChI InChI=1S/C27H23N3O5/c1-16(2)35-22-9-5-7-20-24(22)27(34)29(25(20)32)15-14-23-28-21-8-4-3-6-19(21)26(33)30(23)17-10-12-18(31)13-11-17/h3-13,16,31H,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.280n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135599
PNG
(US8846000, 1-15)
Show SMILES CC(C)Oc1cccc2C(=O)N(CCc3nc4ncccc4c(=O)n3-c3ccc4cn[nH]c4c3)C(=O)c12
Show InChI InChI=1S/C27H22N6O4/c1-15(2)37-21-7-3-5-18-23(21)27(36)32(25(18)34)12-10-22-30-24-19(6-4-11-28-24)26(35)33(22)17-9-8-16-14-29-31-20(16)13-17/h3-9,11,13-15H,10,12H2,1-2H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.480n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135595
PNG
(US8846000, 1-11)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2ncccc2c1=O
Show InChI InChI=1S/C27H24N4O5/c1-16(2)36-21-8-4-6-19-23(21)27(34)30(25(19)32)15-13-22-29-24-20(7-5-14-28-24)26(33)31(22)17-9-11-18(35-3)12-10-17/h4-12,14,16H,13,15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.560n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135591
PNG
(US8846000, 1-7)
Show SMILES COc1ccc2c(c1)nc(CCN1C(=O)c3cccc(OC)c3C1=O)n(-c1cccc(C)c1)c2=O
Show InChI InChI=1S/C27H23N3O5/c1-16-6-4-7-17(14-16)30-23(28-21-15-18(34-2)10-11-19(21)26(30)32)12-13-29-25(31)20-8-5-9-22(35-3)24(20)27(29)33/h4-11,14-15H,12-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.700n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135602
PNG
(US8846000, 1-19)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OCC(F)(F)F)c3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C27H20F3N3O5/c1-37-17-11-9-16(10-12-17)33-22(31-20-7-3-2-5-18(20)25(33)35)13-14-32-24(34)19-6-4-8-21(23(19)26(32)36)38-15-27(28,29)30/h2-12H,13-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.790n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135612
PNG
(US8846000, D-5)
Show SMILES CC(C)Oc1cccc2C(=O)N(CCc3nc4ccccc4c(=O)n3-c3ccc(OCc4ccccc4)cc3)C(=O)c12
Show InChI InChI=1S/C34H29N3O5/c1-22(2)42-29-14-8-12-27-31(29)34(40)36(32(27)38)20-19-30-35-28-13-7-6-11-26(28)33(39)37(30)24-15-17-25(18-16-24)41-21-23-9-4-3-5-10-23/h3-18,22H,19-21H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.830n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50398004
PNG
(CHEMBL2180401)
Show SMILES COc1cccc2C(=O)N(CCc3nc4ccccc4c(=O)n3-c3ccc4cnn(C)c4c3)C(=O)c12
Show InChI InChI=1S/C27H21N5O4/c1-30-21-14-17(11-10-16(21)15-28-30)32-23(29-20-8-4-3-6-18(20)26(32)34)12-13-31-25(33)19-7-5-9-22(36-2)24(19)27(31)35/h3-11,14-15H,12-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
 0.950n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135604
PNG
(US8846000, 1-21)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC4CCC4)c3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C29H25N3O5/c1-36-19-14-12-18(13-15-19)32-25(30-23-10-3-2-8-21(23)28(32)34)16-17-31-27(33)22-9-5-11-24(26(22)29(31)35)37-20-6-4-7-20/h2-3,5,8-15,20H,4,6-7,16-17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135592
PNG
(US8846000, 1-8)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC)c3C2=O)nc2cc(C)ccc2c1=O
Show InChI InChI=1S/C27H23N3O5/c1-16-7-12-19-21(15-16)28-23(30(26(19)32)17-8-10-18(34-2)11-9-17)13-14-29-25(31)20-5-4-6-22(35-3)24(20)27(29)33/h4-12,15H,13-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 1.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135603
PNG
(US8846000, 1-20)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OCC4CC4)c3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C29H25N3O5/c1-36-20-13-11-19(12-14-20)32-25(30-23-7-3-2-5-21(23)28(32)34)15-16-31-27(33)22-6-4-8-24(26(22)29(31)35)37-17-18-9-10-18/h2-8,11-14,18H,9-10,15-17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135611
PNG
(US8846000, C-2)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(-c4ncco4)c3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C28H20N4O5/c1-36-18-11-9-17(10-12-18)32-23(30-22-8-3-2-5-19(22)27(32)34)13-15-31-26(33)21-7-4-6-20(24(21)28(31)35)25-29-14-16-37-25/h2-12,14,16H,13,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 1.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50398008
PNG
(CHEMBL2180426)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC)c3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C26H21N3O5/c1-33-17-12-10-16(11-13-17)29-22(27-20-8-4-3-6-18(20)25(29)31)14-15-28-24(30)19-7-5-9-21(34-2)23(19)26(28)32/h3-13H,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
 2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135605
PNG
(US8846000, 1-22)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OCC(F)(F)F)c3C2=O)nc2nc(C)ccc2c1=O
Show InChI InChI=1S/C27H21F3N4O5/c1-15-6-11-19-23(31-15)32-21(34(25(19)36)16-7-9-17(38-2)10-8-16)12-13-33-24(35)18-4-3-5-20(22(18)26(33)37)39-14-27(28,29)30/h3-11H,12-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 2.08n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135607
PNG
(US8846000, 1-25)
Show SMILES CC(C)Oc1cccc2C(=O)N(CCc3nc4ccccc4c(=O)n3C3CCCCC3)C(=O)c12
Show InChI InChI=1S/C27H29N3O4/c1-17(2)34-22-14-8-12-20-24(22)27(33)29(25(20)31)16-15-23-28-21-13-7-6-11-19(21)26(32)30(23)18-9-4-3-5-10-18/h6-8,11-14,17-18H,3-5,9-10,15-16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135586
PNG
(US8846000, 1-2)
Show SMILES O=C1N(CCc2nc3ccccc3c(=O)n2-c2cccc(c2)-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C30H21N3O3/c34-28-23-13-4-5-14-24(23)29(35)32(28)18-17-27-31-26-16-7-6-15-25(26)30(36)33(27)22-12-8-11-21(19-22)20-9-2-1-3-10-20/h1-16,19H,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 14n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135610
PNG
(US8846000, B-2)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(O)c3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C25H19N3O5/c1-33-16-11-9-15(10-12-16)28-21(26-19-7-3-2-5-17(19)24(28)31)13-14-27-23(30)18-6-4-8-20(29)22(18)25(27)32/h2-12,29H,13-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 22n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135589
PNG
(US8846000, 1-5)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3ccc(C)cc3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C26H21N3O4/c1-16-7-12-19-21(15-16)25(31)28(24(19)30)14-13-23-27-22-6-4-3-5-20(22)26(32)29(23)17-8-10-18(33-2)11-9-17/h3-12,15H,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 26n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135590
PNG
(US8846000, 1-6)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(C#N)c3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C26H18N4O4/c1-34-18-11-9-17(10-12-18)30-22(28-21-8-3-2-6-19(21)25(30)32)13-14-29-24(31)20-7-4-5-16(15-27)23(20)26(29)33/h2-12H,13-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 33n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135593
PNG
(US8846000, 1-9)
Show SMILES COc1ccc(cc1)-n1c(CCc2cn(C(=O)OC(C)(C)C)c3ccccc23)nc2ccccc2c1=O
Show InChI InChI=1S/C30H29N3O4/c1-30(2,3)37-29(35)32-19-20(23-9-6-8-12-26(23)32)13-18-27-31-25-11-7-5-10-24(25)28(34)33(27)21-14-16-22(36-4)17-15-21/h5-12,14-17,19H,13,18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 39n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135585
PNG
(US8846000, 1-1)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3ccccc3C2=O)nc2ncccc2c1=O
Show InChI InChI=1S/C24H18N4O4/c1-32-16-10-8-15(9-11-16)28-20(26-21-19(24(28)31)7-4-13-25-21)12-14-27-22(29)17-5-2-3-6-18(17)23(27)30/h2-11,13H,12,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 39n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135594
PNG
(US8846000, 1-10)
Show SMILES COc1ccc(cc1)-n1c(CCNC(=O)Nc2ccccc2-c2ccccc2)nc2ccccc2c1=O
Show InChI InChI=1S/C30H26N4O3/c1-37-23-17-15-22(16-18-23)34-28(32-27-14-8-6-12-25(27)29(34)35)19-20-31-30(36)33-26-13-7-5-11-24(26)21-9-3-2-4-10-21/h2-18H,19-20H2,1H3,(H2,31,33,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 48n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135588
PNG
(US8846000, 1-4)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(C)c3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C26H21N3O4/c1-16-6-5-8-20-23(16)26(32)28(24(20)30)15-14-22-27-21-9-4-3-7-19(21)25(31)29(22)17-10-12-18(33-2)13-11-17/h3-13H,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 61n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135587
PNG
(US8846000, 1-3)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3ccccc3C2=O)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C25H18ClN3O4/c1-33-17-9-7-16(8-10-17)29-22(27-21-14-15(26)6-11-20(21)25(29)32)12-13-28-23(30)18-4-2-3-5-19(18)24(28)31/h2-11,14H,12-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 77n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50398010
PNG
(CHEMBL2180424)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C25H19N3O4/c1-32-17-12-10-16(11-13-17)28-22(26-21-9-5-4-8-20(21)25(28)31)14-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-13H,14-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
US Patent
 87n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135615
PNG
(US8846000, F-1)
Show SMILES COc1ccc(cc1)-n1c(CCNC(=O)c2ccccc2OC)nc2ccccc2c1=O
Show InChI InChI=1S/C25H23N3O4/c1-31-18-13-11-17(12-14-18)28-23(27-21-9-5-3-7-19(21)25(28)30)15-16-26-24(29)20-8-4-6-10-22(20)32-2/h3-14H,15-16H2,1-2H3,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM135601
PNG
(US8846000, 1-18)
Show SMILES COc1ccc(cc1)-n1c(CCCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C26H21N3O4/c1-33-18-14-12-17(13-15-18)29-23(27-22-10-5-4-9-21(22)26(29)32)11-6-16-28-24(30)19-7-2-3-8-20(19)25(28)31/h2-5,7-10,12-15H,6,11,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 219n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50398009
PNG
(CHEMBL2180425)
Show SMILES COc1ccc(cc1)-n1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
Show InChI InChI=1S/C24H17N3O4/c1-31-16-12-10-15(11-13-16)27-21(25-20-9-5-4-8-19(20)24(27)30)14-26-22(28)17-6-2-3-7-18(17)23(26)29/h2-13H,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
US Patent
 1.90E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%