BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'chapin' and Initial = 'd'   
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
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50032162
PNG
(3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,7-dihydro-...)
Show SMILES O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1
Show InChI InChI=1S/C23H25N3O2/c27-23-13-18-12-19-20(25-28-22(19)14-21(18)24-23)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.330n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Acetylcholinesterase from human erythrocytes

J Med Chem 38: 2802-8 (1995)


BindingDB Entry DOI: 10.7270/Q2Q52NN0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
n/an/a 0.370n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31591
PNG
(pyrazole, 3)
Show SMILES C(Oc1ccc(cc1)-c1n[nH]cc1-c1ccncc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C24H18N4O/c1-2-4-23-18(3-1)5-8-20(27-23)16-29-21-9-6-19(7-10-21)24-22(15-26-28-24)17-11-13-25-14-12-17/h1-15H,16H2,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
n/an/a 0.420n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50032161
PNG
(3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-7-methyl-5,7...)
Show SMILES CN1C(=O)Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc12
Show InChI InChI=1S/C24H27N3O2/c1-26-22-15-23-20(13-19(22)14-24(26)28)21(25-29-23)8-7-17-9-11-27(12-10-17)16-18-5-3-2-4-6-18/h2-6,13,15,17H,7-12,14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.480n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Acetylcholinesterase from human erythrocytes

J Med Chem 38: 2802-8 (1995)


BindingDB Entry DOI: 10.7270/Q2Q52NN0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50032164
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-5,6-dihydroiso...)
Show SMILES O=C1CCc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1
Show InChI InChI=1S/C24H27N3O2/c28-24-9-7-19-14-20-21(26-29-23(20)15-22(19)25-24)8-6-17-10-12-27(13-11-17)16-18-4-2-1-3-5-18/h1-5,14-15,17H,6-13,16H2,(H,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 0.570n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Acetylcholinesterase from human erythrocytes

J Med Chem 38: 2802-8 (1995)


BindingDB Entry DOI: 10.7270/Q2Q52NN0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31606
PNG
(methyl substituted pyrazole, 27)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2cn3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C23H19N5O/c1-27-15-21(17-9-11-24-12-10-17)23(26-27)18-5-7-20(8-6-18)29-16-19-14-28-13-3-2-4-22(28)25-19/h2-15H,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.790n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50039721
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-6-morpholinobe...)
Show SMILES C(Cc1noc2cc(ccc12)N1CCOCC1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H31N3O2/c1-2-4-21(5-3-1)19-27-12-10-20(11-13-27)6-9-24-23-8-7-22(18-25(23)30-26-24)28-14-16-29-17-15-28/h1-5,7-8,18,20H,6,9-17,19H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31594
PNG
(substituted pyrazole, 11)
Show SMILES CCn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C26H22N4O/c1-2-30-17-24(19-13-15-27-16-14-19)26(29-30)21-8-11-23(12-9-21)31-18-22-10-7-20-5-3-4-6-25(20)28-22/h3-17H,2,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.920n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50032163
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-5H-isoxazolo[5...)
Show SMILES O=C1Cc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc2N1
Show InChI InChI=1S/C23H25N3O2/c27-23-13-18-12-22-19(14-21(18)24-23)20(25-28-22)7-6-16-8-10-26(11-9-16)15-17-4-2-1-3-5-17/h1-5,12,14,16H,6-11,13,15H2,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 0.950n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Acetylcholinesterase from human erythrocytes

J Med Chem 38: 2802-8 (1995)


BindingDB Entry DOI: 10.7270/Q2Q52NN0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31605
PNG
(methyl substituted pyrazole, 26)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2nc3ccccc3n2C)cc1)-c1ccncc1
Show InChI InChI=1S/C24H21N5O/c1-28-15-20(17-11-13-25-14-12-17)24(27-28)18-7-9-19(10-8-18)30-16-23-26-21-5-3-4-6-22(21)29(23)2/h3-15H,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.29n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50229040
PNG
(CHEMBL156140)
Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H17N3O4/c1-29-21(27)16-9-5-10-17(13-16)25-19-18(11-6-12-23-19)20(26)24(22(25)28)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain

J Med Chem 34: 624-8 (1991)


BindingDB Entry DOI: 10.7270/Q2WD42SG
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.41n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31593
PNG
(substituted pyrazole, 10)
Show SMILES Cn1ncc(c1-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-25(23(16-27-29)18-12-14-26-15-13-18)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)28-21/h2-16H,17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.54n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50229041
PNG
(CHEMBL351567)
Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(CC2CCCC2)c1=O
Show InChI InChI=1S/C21H21N3O4/c1-28-20(26)15-8-4-9-16(12-15)24-18-17(10-5-11-22-18)19(25)23(21(24)27)13-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain

J Med Chem 34: 624-8 (1991)


BindingDB Entry DOI: 10.7270/Q2WD42SG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain

J Med Chem 34: 624-8 (1991)


BindingDB Entry DOI: 10.7270/Q2WD42SG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rolipram binding to phosphodiesterase 4 of rat cerebral cortex membranes.

J Med Chem 34: 291-8 (1991)


BindingDB Entry DOI: 10.7270/Q2NV9MG8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50228824
PNG
(CHEMBL2112408)
Show SMILES COc1ccc(cc1O[C@@H]1CC2CCC1C2)C1CNC(=O)N1C |r,THB:8:9:15:13.12|
Show InChI InChI=1S/C18H24N2O3/c1-20-14(10-19-18(20)21)12-5-6-15(22-2)17(9-12)23-16-8-11-3-4-13(16)7-11/h5-6,9,11,13-14,16H,3-4,7-8,10H2,1-2H3,(H,19,21)/t11?,13?,14?,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rolipram binding to rat cerebral cortex membranes

J Med Chem 34: 291-8 (1991)


BindingDB Entry DOI: 10.7270/Q2NV9MG8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50032165
PNG
(CHEMBL92736 | CHEMBL94217 | N-{3-[2-(1-Benzyl-pipe...)
Show SMILES CC(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
Show InChI InChI=1S/C23H27N3O2/c1-17(27)24-20-8-9-21-22(25-28-23(21)15-20)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Acetylcholinesterase from human erythrocytes

J Med Chem 38: 2802-8 (1995)


BindingDB Entry DOI: 10.7270/Q2Q52NN0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50032165
PNG
(CHEMBL92736 | CHEMBL94217 | N-{3-[2-(1-Benzyl-pipe...)
Show SMILES CC(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
Show InChI InChI=1S/C23H27N3O2/c1-17(27)24-20-8-9-21-22(25-28-23(21)15-20)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50228833
PNG
(CHEMBL318836)
Show SMILES COc1ccc(cc1OC1CC2CC1C=C2)C1CNC(=O)N1C |c:16,TLB:8:9:14.15:12|
Show InChI InChI=1S/C18H22N2O3/c1-20-14(10-19-18(20)21)12-5-6-15(22-2)17(9-12)23-16-8-11-3-4-13(16)7-11/h3-6,9,11,13-14,16H,7-8,10H2,1-2H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rolipram binding to rat cerebral cortex membranes

J Med Chem 34: 291-8 (1991)


BindingDB Entry DOI: 10.7270/Q2NV9MG8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50229038
PNG
(CHEMBL345917)
Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(CC2CC3CCC2C3)c1=O |THB:20:21:27:25.24|
Show InChI InChI=1S/C23H23N3O4/c1-30-22(28)16-4-2-5-18(12-16)26-20-19(6-3-9-24-20)21(27)25(23(26)29)13-17-11-14-7-8-15(17)10-14/h2-6,9,12,14-15,17H,7-8,10-11,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain

J Med Chem 34: 624-8 (1991)


BindingDB Entry DOI: 10.7270/Q2WD42SG
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31607
PNG
(methyl substituted pyrazole, 28)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2nc3ccccn3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C22H18N6O/c1-27-14-19(16-9-11-23-12-10-16)22(26-27)17-5-7-18(8-6-17)29-15-20-24-21-4-2-3-13-28(21)25-20/h2-14H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50032160
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-6H-isoxazolo[5...)
Show SMILES O=C1Cc2c(N1)ccc1c(CCC3CCN(Cc4ccccc4)CC3)noc21
Show InChI InChI=1S/C23H25N3O2/c27-22-14-19-20(24-22)9-7-18-21(25-28-23(18)19)8-6-16-10-12-26(13-11-16)15-17-4-2-1-3-5-17/h1-5,7,9,16H,6,8,10-15H2,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Acetylcholinesterase from human erythrocytes

J Med Chem 38: 2802-8 (1995)


BindingDB Entry DOI: 10.7270/Q2Q52NN0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50034001
PNG
(3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro

J Med Chem 38: 1084-9 (1995)


BindingDB Entry DOI: 10.7270/Q21N81S7
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31595
PNG
(substituted pyrazole, 12)
Show SMILES CCn1ncc(c1-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C26H22N4O/c1-2-30-26(24(17-28-30)19-13-15-27-16-14-19)21-8-11-23(12-9-21)31-18-22-10-7-20-5-3-4-6-25(20)29-22/h3-17H,2,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.76n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM50350800
PNG
(CHEMBL1819135)
Show SMILES COc1cc2ncnc(-c3cccnc3)c2cc1OCCc1ccc2ccccc2n1
Show InChI InChI=1S/C25H20N4O2/c1-30-23-14-22-20(25(28-16-27-22)18-6-4-11-26-15-18)13-24(23)31-12-10-19-9-8-17-5-2-3-7-21(17)29-19/h2-9,11,13-16H,10,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay

J Med Chem 54: 4536-47 (2011)


Article DOI: 10.1021/jm2001508
BindingDB Entry DOI: 10.7270/Q2PN961Q
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31604
PNG
(methyl substituted pyrazole, 25)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2cnc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C24H19N5O/c1-29-15-21(17-10-12-25-13-11-17)24(28-29)18-6-8-20(9-7-18)30-16-19-14-26-22-4-2-3-5-23(22)27-19/h2-15H,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.09n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50039729
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-5,6-dimethylbe...)
Show SMILES Cc1cc2onc(CCC3CCN(Cc4ccccc4)CC3)c2cc1C
Show InChI InChI=1S/C23H28N2O/c1-17-14-21-22(24-26-23(21)15-18(17)2)9-8-19-10-12-25(13-11-19)16-20-6-4-3-5-7-20/h3-7,14-15,19H,8-13,16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serum

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human erythrocytes

J Med Chem 38: 2802-8 (1995)


BindingDB Entry DOI: 10.7270/Q2Q52NN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro

J Med Chem 38: 1084-9 (1995)


BindingDB Entry DOI: 10.7270/Q21N81S7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50034002
PNG
(3-(1-Benzyl-piperidin-4-yl)-1-(2-methyl-benzothiaz...)
Show SMILES Cc1nc2ccc(cc2s1)C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2OS/c1-17-24-21-9-8-20(15-23(21)27-17)22(26)10-7-18-11-13-25(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro

J Med Chem 38: 1084-9 (1995)


BindingDB Entry DOI: 10.7270/Q21N81S7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50039713
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-methoxybenzo...)
Show SMILES COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
Show InChI InChI=1S/C22H26N2O2/c1-25-21-9-5-8-19-20(23-26-22(19)21)11-10-17-12-14-24(15-13-17)16-18-6-3-2-4-7-18/h2-9,17H,10-16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50039712
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-5-methoxybenzo...)
Show SMILES COc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H26N2O2/c1-25-19-8-10-22-20(15-19)21(23-26-22)9-7-17-11-13-24(14-12-17)16-18-5-3-2-4-6-18/h2-6,8,10,15,17H,7,9,11-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50228829
PNG
(CHEMBL2111611)
Show SMILES COc1ccc(cc1O[C@H]1CC2CCC1C2)C1CNC(=O)N1C |r,THB:8:9:15:13.12|
Show InChI InChI=1S/C18H24N2O3/c1-20-14(10-19-18(20)21)12-5-6-15(22-2)17(9-12)23-16-8-11-3-4-13(16)7-11/h5-6,9,11,13-14,16H,3-4,7-8,10H2,1-2H3,(H,19,21)/t11?,13?,14?,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rolipram binding to phosphodiesterase 4 of rat cerebral cortex membranes.

J Med Chem 34: 291-8 (1991)


BindingDB Entry DOI: 10.7270/Q2NV9MG8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50039728
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-5-methylbenzo[...)
Show SMILES Cc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H26N2O/c1-17-7-10-22-20(15-17)21(23-25-22)9-8-18-11-13-24(14-12-18)16-19-5-3-2-4-6-19/h2-7,10,15,18H,8-9,11-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro

J Med Chem 38: 1084-9 (1995)


BindingDB Entry DOI: 10.7270/Q21N81S7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
PubMed
n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50039717
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)-6-methoxybenzo...)
Show SMILES COc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
Show InChI InChI=1S/C22H26N2O2/c1-25-19-8-9-20-21(23-26-22(20)15-19)10-7-17-11-13-24(14-12-17)16-18-5-3-2-4-6-18/h2-6,8-9,15,17H,7,10-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))		BDBM50350802
PNG
(CHEMBL1819121)
Show SMILES COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H23N3O2/c1-25-19-11-17-18(12-20(19)26-2)22-14-23-21(17)24-10-6-9-16(13-24)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,16H,6,9-10,13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE3A

J Med Chem 54: 4536-47 (2011)


Article DOI: 10.1021/jm2001508
BindingDB Entry DOI: 10.7270/Q2PN961Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50039723
PNG
(3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazo...)
Show SMILES NC(=O)c1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
Show InChI InChI=1S/C22H25N3O2/c23-22(26)18-7-8-19-20(24-27-21(19)14-18)9-6-16-10-12-25(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16H,6,9-13,15H2,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50039727
PNG
(CHEMBL93123 | N-(3-(2-(1-benzylpiperidin-4-yl)ethy...)
Show SMILES O=C(Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1)c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c32-28(23-9-5-2-6-10-23)29-24-12-13-25-26(30-33-27(25)19-24)14-11-21-15-17-31(18-16-21)20-22-7-3-1-4-8-22/h1-10,12-13,19,21H,11,14-18,20H2,(H,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 9.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes

J Med Chem 37: 2721-34 (1994)


BindingDB Entry DOI: 10.7270/Q2VT1R4X
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM50350797
PNG
(CHEMBL1819132)
Show SMILES COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OCCCc1nc2ccccc2n1C
Show InChI InChI=1S/C31H33N5O2/c1-35-27-14-7-6-13-25(27)34-30(35)15-9-17-38-29-18-24-26(19-28(29)37-2)32-21-33-31(24)36-16-8-12-23(20-36)22-10-4-3-5-11-22/h3-7,10-11,13-14,18-19,21,23H,8-9,12,15-17,20H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay

J Med Chem 54: 4536-47 (2011)


Article DOI: 10.1021/jm2001508
BindingDB Entry DOI: 10.7270/Q2PN961Q
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50228825
PNG
(CHEMBL2112409)
Show SMILES COc1ccc(cc1O[C@@H]1CC2CC1C1CCCC21)C1CNC(=O)N1C |r,TLB:15:14:12:9.10,8:9:12:14.18,THB:17:18:12:9.10|
Show InChI InChI=1S/C21H28N2O3/c1-23-17(11-22-21(23)24)12-6-7-18(25-2)20(9-12)26-19-10-13-8-16(19)15-5-3-4-14(13)15/h6-7,9,13-17,19H,3-5,8,10-11H2,1-2H3,(H,22,24)/t13?,14?,15?,16?,17?,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rolipram binding to rat cerebral cortex membranes

J Med Chem 34: 291-8 (1991)


BindingDB Entry DOI: 10.7270/Q2NV9MG8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31590
PNG
(pyrazole, 2)
Show SMILES C(Oc1ccc(cc1)-c1n[nH]cc1Cc1ccncc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H20N4O/c1-2-4-24-19(3-1)5-8-22(28-24)17-30-23-9-6-20(7-10-23)25-21(16-27-29-25)15-18-11-13-26-14-12-18/h1-14,16H,15,17H2,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
MMDB
PDB
Article
PubMed
n/an/a 11.5n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31597
PNG
(isoxazole, 14)
Show SMILES C(Oc1ccc(cc1)-c1oncc1-c1ccncc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C24H17N3O2/c1-2-4-23-18(3-1)5-8-20(27-23)16-28-21-9-6-19(7-10-21)24-22(15-26-29-24)17-11-13-25-14-12-17/h1-15H,16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11.7n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM31600
PNG
(pyrazole, 17)
Show SMILES C(Oc1ccc(cc1)-c1n[nH]cc1-c1ccnnc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H17N5O/c1-2-4-22-16(3-1)5-8-19(27-22)15-29-20-9-6-17(7-10-20)23-21(14-26-28-23)18-11-12-24-25-13-18/h1-14H,15H2,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11.9n/an/an/an/a7.523



Pfizer



Assay Description
PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP c...

J Med Chem 52: 5188-96 (2009)


Article DOI: 10.1021/jm900521k
BindingDB Entry DOI: 10.7270/Q290223B
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM50350803
PNG
(CHEMBL1819131)
Show SMILES COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OCCc1ccc2ccccc2n1
Show InChI InChI=1S/C31H30N4O2/c1-36-29-19-28-26(18-30(29)37-17-15-25-14-13-23-10-5-6-12-27(23)34-25)31(33-21-32-28)35-16-7-11-24(20-35)22-8-3-2-4-9-22/h2-6,8-10,12-14,18-19,21,24H,7,11,15-17,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay

J Med Chem 54: 4536-47 (2011)


Article DOI: 10.1021/jm2001508
BindingDB Entry DOI: 10.7270/Q2PN961Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50034003
PNG
(3-(1-Benzyl-piperidin-4-yl)-1-(2-methyl-1H-benzoim...)
Show SMILES Cc1nc2ccc(cc2[nH]1)C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H27N3O/c1-17-24-21-9-8-20(15-22(21)25-17)23(27)10-7-18-11-13-26(14-12-18)16-19-5-3-2-4-6-19/h2-6,8-9,15,18H,7,10-14,16H2,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro

J Med Chem 38: 1084-9 (1995)


BindingDB Entry DOI: 10.7270/Q21N81S7
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))		BDBM50350801
PNG
(CHEMBL1819136)
Show SMILES COc1cc2ncn(C)c(=O)c2cc1OCCc1ccc2ccccc2n1
Show InChI InChI=1S/C21H19N3O3/c1-24-13-22-18-12-19(26-2)20(11-16(18)21(24)25)27-10-9-15-8-7-14-5-3-4-6-17(14)23-15/h3-8,11-13H,9-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay

J Med Chem 54: 4536-47 (2011)


Article DOI: 10.1021/jm2001508
BindingDB Entry DOI: 10.7270/Q2PN961Q
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 165 total )  |  Next  |  Last  >>
Jump to: