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Compile Data Set for Download or QSAR

Found 230 hits with Last Name = 'corman' and Initial = 'm'   
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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 2.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against [125I]-Try0-o-Corticotropin-releasing Factor to Corticotropin releasing hormone receptor 1 from ovine

J Med Chem 40: 1749-54 (1997)


Article DOI: 10.1021/jm960861b
BindingDB Entry DOI: 10.7270/Q2SJ1JQP
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 2


(RAT)		BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-Tyr0-sauvagine to Corticotropin releasing hormone receptor 2 (CRF2)

J Med Chem 40: 1749-54 (1997)


Article DOI: 10.1021/jm960861b
BindingDB Entry DOI: 10.7270/Q2SJ1JQP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477060
PNG
(CHEMBL393761)
Show SMILES CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)O
Show InChI InChI=1S/C25H35F2N3O3S/c1-5-7-20(29-22(31)10-9-17-12-18(26)14-19(27)13-17)23(32)30-24-28-15-21(34-24)16(2)8-6-11-25(3,4)33/h12-16,20,33H,5-11H2,1-4H3,(H,29,31)(H,28,30,32)/t16?,20-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477067
PNG
(CHEMBL237875)
Show SMILES CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)OC
Show InChI InChI=1S/C25H35F2N3O3S/c1-6-20(29-22(31)10-9-17-12-18(26)14-19(27)13-17)23(32)30-24-28-15-21(34-24)16(2)8-7-11-25(3,4)33-5/h12-16,20H,6-11H2,1-5H3,(H,29,31)(H,28,30,32)/t16?,20-/m0/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477038
PNG
(CHEMBL237850)
Show SMILES CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)[C@@H](C)CCCC(C)(C)OC
Show InChI InChI=1S/C25H35F2N3O3S/c1-6-20(29-22(31)10-9-17-12-18(26)14-19(27)13-17)23(32)30-24-28-15-21(34-24)16(2)8-7-11-25(3,4)33-5/h12-16,20H,6-11H2,1-5H3,(H,29,31)(H,28,30,32)/t16-,20-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477048
PNG
(CHEMBL236597)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(s1)[C@@H](C)CCCC(C)(C)OC
Show InChI InChI=1S/C23H41N3O4S/c1-9-11-16(25-20(29)18(27)22(3,4)5)19(28)26-21-24-14-17(31-21)15(2)12-10-13-23(6,7)30-8/h14-16,18,27H,9-13H2,1-8H3,(H,25,29)(H,24,26,28)/t15-,16-,18+/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477051
PNG
(CHEMBL237666)
Show SMILES CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)OC
Show InChI InChI=1S/C26H37F2N3O3S/c1-6-8-21(30-23(32)11-10-18-13-19(27)15-20(28)14-18)24(33)31-25-29-16-22(35-25)17(2)9-7-12-26(3,4)34-5/h13-17,21H,6-12H2,1-5H3,(H,30,32)(H,29,31,33)/t17?,21-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477065
PNG
(CHEMBL236592)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)O
Show InChI InChI=1S/C22H39N3O4S/c1-8-10-15(24-19(28)17(26)21(3,4)5)18(27)25-20-23-13-16(30-20)14(2)11-9-12-22(6,7)29/h13-15,17,26,29H,8-12H2,1-7H3,(H,24,28)(H,23,25,27)/t14?,15-,17+/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477046
PNG
(CHEMBL236595)
Show SMILES COC(C)(C)CCCC(C)c1cnc(NC(=O)[C@H](C)NC(=O)CCc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C24H33F2N3O3S/c1-15(7-6-10-24(3,4)32-5)20-14-27-23(33-20)29-22(31)16(2)28-21(30)9-8-17-11-18(25)13-19(26)12-17/h11-16H,6-10H2,1-5H3,(H,28,30)(H,27,29,31)/t15?,16-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477022
PNG
(CHEMBL236594)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)OC
Show InChI InChI=1S/C22H39N3O4S/c1-8-10-16(24-20(28)18(26)14(2)3)19(27)25-21-23-13-17(30-21)15(4)11-9-12-22(5,6)29-7/h13-16,18,26H,8-12H2,1-7H3,(H,24,28)(H,23,25,27)/t15?,16-,18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477040
PNG
(CHEMBL237665)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)Nc1ncc(s1)[C@@H](C)CCCC(C)(C)OC
Show InChI InChI=1S/C22H39N3O4S/c1-8-10-16(24-20(28)18(26)14(2)3)19(27)25-21-23-13-17(30-21)15(4)11-9-12-22(5,6)29-7/h13-16,18,26H,8-12H2,1-7H3,(H,24,28)(H,23,25,27)/t15-,16-,18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477037
PNG
(CHEMBL237867)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(CC)CC
Show InChI InChI=1S/C21H27F2N3O3S/c1-4-7-16(19(28)26-21-24-11-17(30-21)12(5-2)6-3)25-20(29)18(27)13-8-14(22)10-15(23)9-13/h8-12,16,18,27H,4-7H2,1-3H3,(H,25,29)(H,24,26,28)/t16-,18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
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
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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)
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))		BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79
More data for this
Ligand-Target Pair
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)
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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)
Presenilin-1


(Homo sapiens (Human))		BDBM50477021
PNG
(CHEMBL236596)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)OC
Show InChI InChI=1S/C23H41N3O4S/c1-9-11-16(25-20(29)18(27)22(3,4)5)19(28)26-21-24-14-17(31-21)15(2)12-10-13-23(6,7)30-8/h14-16,18,27H,9-13H2,1-8H3,(H,25,29)(H,24,26,28)/t15?,16-,18+/m0/s1
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n/an/a 0.430n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477061
PNG
(CHEMBL393401)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C24H32F2N4O4S/c1-6-7-18(29-20(31)10-15-8-16(25)11-17(26)9-15)22(32)30-24-27-12-19(35-24)14(4)28-21(13(2)3)23(33)34-5/h8-9,11-14,18,21,28H,6-7,10H2,1-5H3,(H,29,31)(H,27,30,32)/t14?,18-,21-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
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
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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
Presenilin-1


(Homo sapiens (Human))		BDBM50477041
PNG
(CHEMBL393397)
Show SMILES CCCC(CCC)c1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C23H31F2N3O2S/c1-4-7-16(8-5-2)20-14-26-23(31-20)28-22(30)19(9-6-3)27-21(29)12-15-10-17(24)13-18(25)11-15/h10-11,13-14,16,19H,4-9,12H2,1-3H3,(H,27,29)(H,26,28,30)/t19-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50397844
PNG
(CHEMBL2179099)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-2-4-16(23)5-3-15)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-6-8-30-9-7-17/h2-5,10,14,17,19H,6-9,11-13H2,1H3,(H,25,26,29)/t14-,19-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79
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
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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
Presenilin-1


(Homo sapiens (Human))		BDBM50477050
PNG
(CHEMBL236775)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(O)(CC)CC
Show InChI InChI=1S/C21H27F2N3O3S/c1-4-7-16(25-18(27)10-13-8-14(22)11-15(23)9-13)19(28)26-20-24-12-17(30-20)21(29,5-2)6-3/h8-9,11-12,16,29H,4-7,10H2,1-3H3,(H,25,27)(H,24,26,28)/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase C100Flag cleavaging activity in HeLa cell membranes assessed as M-amyloid beta-40 production by cell free assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50397850
PNG
(CHEMBL2179093)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C17H18N4O2/c22-17-14-11-18-21(13-6-8-23-9-7-13)16(14)19-15(20-17)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,19,20,22)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477056
PNG
(CHEMBL236773)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(s1)[C@H](C)CCCC(C)(C)OC
Show InChI InChI=1S/C23H41N3O4S/c1-9-11-16(25-20(29)18(27)22(3,4)5)19(28)26-21-24-14-17(31-21)15(2)12-10-13-23(6,7)30-8/h14-16,18,27H,9-13H2,1-8H3,(H,25,29)(H,24,26,28)/t15-,16+,18-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50397845
PNG
(CHEMBL2177125)
Show SMILES C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-3-2-4-16(23)9-15)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-5-7-30-8-6-17/h2-4,9-10,14,17,19H,5-8,11-13H2,1H3,(H,25,26,29)/t14-,19-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477047
PNG
(CHEMBL240700)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)NCCC(C)(C)C
Show InChI InChI=1S/C24H34F2N4O2S/c1-6-7-19(29-21(31)12-16-10-17(25)13-18(26)11-16)22(32)30-23-28-14-20(33-23)15(2)27-9-8-24(3,4)5/h10-11,13-15,19,27H,6-9,12H2,1-5H3,(H,29,31)(H,28,30,32)/t15?,19-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477050
PNG
(CHEMBL236775)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(O)(CC)CC
Show InChI InChI=1S/C21H27F2N3O3S/c1-4-7-16(25-18(27)10-13-8-14(22)11-15(23)9-13)19(28)26-20-24-12-17(30-20)21(29,5-2)6-3/h8-9,11-12,16,29H,4-7,10H2,1-3H3,(H,25,27)(H,24,26,28)/t16-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
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
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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
Presenilin-1


(Homo sapiens (Human))		BDBM50477069
PNG
(CHEMBL240068)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)NCc1ccccc1
Show InChI InChI=1S/C25H28F2N4O2S/c1-3-7-21(30-23(32)12-18-10-19(26)13-20(27)11-18)24(33)31-25-29-15-22(34-25)16(2)28-14-17-8-5-4-6-9-17/h4-6,8-11,13,15-16,21,28H,3,7,12,14H2,1-2H3,(H,30,32)(H,29,31,33)/t16?,21-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
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
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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
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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
Presenilin-1


(Homo sapiens (Human))		BDBM50477057
PNG
(CHEMBL237669)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)CC(C)(C)C
Show InChI InChI=1S/C23H31F2N3O2S/c1-6-7-18(27-20(29)10-15-8-16(24)11-17(25)9-15)21(30)28-22-26-13-19(31-22)14(2)12-23(3,4)5/h8-9,11,13-14,18H,6-7,10,12H2,1-5H3,(H,27,29)(H,26,28,30)/t14?,18-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50397848
PNG
(CHEMBL2179096)
Show SMILES CC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r|
Show InChI InChI=1S/C23H29N5O2/c1-2-17-14-27(13-16-6-4-3-5-7-16)15-20(17)21-25-22-19(23(29)26-21)12-24-28(22)18-8-10-30-11-9-18/h3-7,12,17-18,20H,2,8-11,13-15H2,1H3,(H,25,26,29)/t17-,20-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 55: 9045-54 (2012)


Article DOI: 10.1021/jm3007799
BindingDB Entry DOI: 10.7270/Q24J0G79
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA

J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA

J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50300112
PNG
(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA

J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50300112
PNG
(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA

J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Presenilin-1


(Homo sapiens (Human))		BDBM50477027
PNG
(CHEMBL392759)
Show SMILES CCCCNC(C)c1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C22H30F2N4O2S/c1-4-6-8-25-14(3)19-13-26-22(31-19)28-21(30)18(7-5-2)27-20(29)11-15-9-16(23)12-17(24)10-15/h9-10,12-14,18,25H,4-8,11H2,1-3H3,(H,27,29)(H,26,28,30)/t14?,18-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477052
PNG
(CHEMBL240066)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c(s1)C(C)NCCC(C)(C)C
Show InChI InChI=1S/C25H36F2N4O2S/c1-7-8-20(30-21(32)13-17-11-18(26)14-19(27)12-17)23(33)31-24-29-16(3)22(34-24)15(2)28-10-9-25(4,5)6/h11-12,14-15,20,28H,7-10,13H2,1-6H3,(H,30,32)(H,29,31,33)/t15?,20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))		BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA

J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))		BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA

J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA

J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA

J Med Chem 52: 7946-9 (2009)


Article DOI: 10.1021/jm9015334
BindingDB Entry DOI: 10.7270/Q2RV0NRS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Presenilin-1


(Homo sapiens (Human))		BDBM50477068
PNG
(CHEMBL236790)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ncc(s1)C(O)(CC)CC
Show InChI InChI=1S/C21H29N3O4S/c1-4-10-15(23-19(27)17(25)14-11-8-7-9-12-14)18(26)24-20-22-13-16(29-20)21(28,5-2)6-3/h7-9,11-13,15,17,25,28H,4-6,10H2,1-3H3,(H,23,27)(H,22,24,26)/t15-,17-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477042
PNG
(CHEMBL236774)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(CC)CC
Show InChI InChI=1S/C21H27F2N3O2S/c1-4-7-17(25-19(27)10-13-8-15(22)11-16(23)9-13)20(28)26-21-24-12-18(29-21)14(5-2)6-3/h8-9,11-12,14,17H,4-7,10H2,1-3H3,(H,25,27)(H,24,26,28)/t17-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477055
PNG
(CHEMBL241350)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)N1CCOCC1
Show InChI InChI=1S/C22H28F2N4O3S/c1-3-4-18(26-20(29)11-15-9-16(23)12-17(24)10-15)21(30)27-22-25-13-19(32-22)14(2)28-5-7-31-8-6-28/h9-10,12-14,18H,3-8,11H2,1-2H3,(H,26,29)(H,25,27,30)/t14?,18-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477063
PNG
(CHEMBL393756)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)NCCC(C)C
Show InChI InChI=1S/C23H32F2N4O2S/c1-5-6-19(28-21(30)11-16-9-17(24)12-18(25)10-16)22(31)29-23-27-13-20(32-23)15(4)26-8-7-14(2)3/h9-10,12-15,19,26H,5-8,11H2,1-4H3,(H,28,30)(H,27,29,31)/t15?,19-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477063
PNG
(CHEMBL393756)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)NCCC(C)C
Show InChI InChI=1S/C23H32F2N4O2S/c1-5-6-19(28-21(30)11-16-9-17(24)12-18(25)10-16)22(31)29-23-27-13-20(32-23)15(4)26-8-7-14(2)3/h9-10,12-15,19,26H,5-8,11H2,1-4H3,(H,28,30)(H,27,29,31)/t15?,19-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase C100Flag cleavaging activity in HeLa cell membranes assessed as M-amyloid beta-40 production by cell free assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50477047
PNG
(CHEMBL240700)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)NCCC(C)(C)C
Show InChI InChI=1S/C24H34F2N4O2S/c1-6-7-19(29-21(31)12-16-10-17(25)13-18(26)11-16)22(32)30-23-28-14-20(33-23)15(2)27-9-8-24(3,4)5/h10-11,13-15,19,27H,6-9,12H2,1-5H3,(H,29,31)(H,28,30,32)/t15?,19-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase C100Flag cleavaging activity in HeLa cell membranes assessed as M-amyloid beta-40 production by cell free assay

Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
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