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PubChem AID 743329

Compile data set for download or QSAR
Found 157 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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM84007
PNG
(CEFIXIME | Cefiximum [Latin] | MLS002222332 | SMR0...)
Show SMILES Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:23|
Show InChI InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM52817
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Show InChI InChI=1S/C14H11NO6S2/c16-11(17)7-9(13(19)20)15-12(18)10(23-14(15)22)5-1-3-8-4-2-6-21-8/h1-6,9H,7H2,(H,16,17)(H,19,20)/b3-1+,10-5-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114297
PNG
(2-[(3R,6S)-1-acetyl-6-(tosylcarbamoyl)-3,6-dihydro...)
Show SMILES COC(=O)C([C@@H]1CN([C@@H](C=C1)C(=O)NS(=O)(=O)c1ccc(C)cc1)C(C)=O)C(=O)OC |c:9|
Show InChI InChI=1S/C20H24N2O8S/c1-12-5-8-15(9-6-12)31(27,28)21-18(24)16-10-7-14(11-22(16)13(2)23)17(19(25)29-3)20(26)30-4/h5-10,14,16-17H,11H2,1-4H3,(H,21,24)/t14-,16-/m0/s1
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n/an/a 2.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM18136
PNG
(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114292
PNG
(2-(2-cyano-3-pyridinyl)-2-methylpropanoic acid met...)
Show SMILES COC(=O)C(C)(C)c1cccnc1C#N
Show InChI InChI=1S/C11H12N2O2/c1-11(2,10(14)15-3)8-5-4-6-13-9(8)7-12/h4-6H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM52754
PNG
(3-amino-4-hydroxy-5-nitro-besylic acid | 3-amino-4...)
Show SMILES Nc1cc(cc(c1O)[N+]([O-])=O)S(O)(=O)=O
Show InChI InChI=1S/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM60205
PNG
(MLS001006819 | N,N'-bis(4-keto-2-thioxo-thiazolidi...)
Show SMILES Oc1csc(=S)n1NC(=O)C(=O)Nn1c(O)csc1=S
Show InChI InChI=1S/C8H6N4O4S4/c13-3-1-19-7(17)11(3)9-5(15)6(16)10-12-4(14)2-20-8(12)18/h1-2,13-14H,(H,9,15)(H,10,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM51771
PNG
(1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
Show InChI InChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-5-3-4-6-13-7/h3-6H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114299
PNG
((3R,6S)-1-acetyl-3-(1H-indol-3-yl)-N-(4-methylphen...)
Show SMILES CC(=O)N1C[C@H](C=C[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccccc12 |c:6|
Show InChI InChI=1S/C23H23N3O4S/c1-15-7-10-18(11-8-15)31(29,30)25-23(28)22-12-9-17(14-26(22)16(2)27)20-13-24-21-6-4-3-5-19(20)21/h3-13,17,22,24H,14H2,1-2H3,(H,25,28)/t17-,22-/m0/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM61258
PNG
((5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM22860
PNG
(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Show SMILES O=C1C(=O)c2cccnc2-c2ncccc12
Show InChI InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114252
PNG
(1-keto-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one |...)
Show SMILES O=C1CS(=O)CN1c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H13NO3S/c17-15-10-20(18)11-16(15)12-6-8-14(9-7-12)19-13-4-2-1-3-5-13/h1-9H,10-11H2
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM48003
PNG
(2-Methyl-8-morpholin-4-yl-5,6-dioxo-5,6-dihydro-qu...)
Show SMILES COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1 |c:10|
Show InChI InChI=1S/C16H16N2O5/c1-9-7-10(16(21)22-2)13-14(17-9)11(8-12(19)15(13)20)18-3-5-23-6-4-18/h7-8H,3-6H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50331546
PNG
(2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzenes...)
Show SMILES Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O |(5.36,3.71,;6.7,2.94,;6.69,1.4,;8.03,.63,;9.35,1.4,;10.69,.62,;10.68,-.91,;9.35,-1.67,;9.34,-3.21,;10.67,-3.98,;12.01,-3.21,;12.01,-1.67,;13.34,-.9,;14.66,-.12,;14.12,-2.23,;12.56,.43,;12.03,1.39,;13.37,.61,;14.72,1.38,;14.73,2.94,;16.06,3.7,;13.38,3.72,;13.38,5.26,;12.04,2.95,;10.69,3.73,;9.36,2.95,;8.02,3.71,;8.02,5.25,)|
Show InChI InChI=1S/C19H12O8S/c20-12-7-5-10-15(9-3-1-2-4-14(9)28(24,25)26)11-6-8-13(21)17(23)19(11)27-18(10)16(12)22/h1-8,20,22-23H,(H,24,25,26)
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n/an/a 1.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114270
PNG
(4-methoxybenzyl 1H-1,2,4-triazol-3-yl sulfone | 5-...)
Show SMILES COc1ccc(CS(=O)(=O)c2nnc[nH]2)cc1
Show InChI InChI=1S/C10H11N3O3S/c1-16-9-4-2-8(3-5-9)6-17(14,15)10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)
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n/an/a 1.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114266
PNG
(3,3'-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methyl...)
Show SMILES CCOc1cc(Br)cc(C(c2c([nH]c3ccccc23)C(O)=O)c2c([nH]c3ccccc23)C(O)=O)c1O
Show InChI InChI=1S/C27H21BrN2O6/c1-2-36-19-12-13(28)11-16(25(19)31)20(21-14-7-3-5-9-17(14)29-23(21)26(32)33)22-15-8-4-6-10-18(15)30-24(22)27(34)35/h3-12,20,29-31H,2H2,1H3,(H,32,33)(H,34,35)
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n/an/a 1.86E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM53380
PNG
(MLS001332477 | SMR000857110 | Sennoside A | cid_16...)
Show SMILES [H][C@]1(c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O
Show InChI InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42?/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50647
PNG
(2,3,4,5-tetrahydroxy-6-benzo[7]annulenone | 2,3,4,...)
Show SMILES Oc1cc2cccc(=O)c(O)c2c(O)c1O
Show InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
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n/an/a 2.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM51315
PNG
(3-[(2Z)-2-(3-formyl-4-oxo-1-cyclohexa-2,5-dienylid...)
Show SMILES OC(=O)c1cccc(c1)N=Nc1ccc(O)c(C=O)c1 |w:9.9|
Show InChI InChI=1S/C14H10N2O4/c17-8-10-7-12(4-5-13(10)18)16-15-11-3-1-2-9(6-11)14(19)20/h1-8,18H,(H,19,20)
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n/an/a 2.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM53026
PNG
(3,3'-[(5-chloro-2-hydroxy-3-nitrophenyl)methyl...)
Show SMILES OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C25H16ClN3O7/c26-11-9-14(23(30)17(10-11)29(35)36)18(19-12-5-1-3-7-15(12)27-21(19)24(31)32)20-13-6-2-4-8-16(13)28-22(20)25(33)34/h1-10,18,27-28,30H,(H,31,32)(H,33,34)
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n/an/a 2.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114202
PNG
(2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indo...)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C23H19NO4/c1-3-28-23(27)18-14(2)24(13-15-9-5-4-6-10-15)20-19(18)16-11-7-8-12-17(16)21(25)22(20)26/h4-12H,3,13H2,1-2H3
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n/an/a 2.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM47978
PNG
((NZ)-N-[3-(4-hydroxyanilino)-4-keto-1-naphthyliden...)
Show SMILES Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C20H14N2O4S2/c23-14-9-7-13(8-10-14)21-18-12-17(15-4-1-2-5-16(15)20(18)24)22-28(25,26)19-6-3-11-27-19/h1-12,21,23H
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n/an/a 2.93E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114294
PNG
(1-bromanyl-4-[(4-bromophenyl)sulfonylmethylsulfony...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)CS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H10Br2O4S2/c14-10-1-5-12(6-2-10)20(16,17)9-21(18,19)13-7-3-11(15)4-8-13/h1-8H,9H2
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n/an/a 3.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114268
PNG
((4-nitrophenyl)methyl 3-methyl-8-oxidanylidene-7-(...)
Show SMILES CC1=C(N2C(SC1)C(NC(=O)Cc1ccccc1)C2=O)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:1|
Show InChI InChI=1S/C23H21N3O6S/c1-14-13-33-22-19(24-18(27)11-15-5-3-2-4-6-15)21(28)25(22)20(14)23(29)32-12-16-7-9-17(10-8-16)26(30)31/h2-10,19,22H,11-13H2,1H3,(H,24,27)
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n/an/a 3.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114272
PNG
(1,1-bis(oxidanylidene)-4H-1,4-benzothiazin-3-one |...)
Show SMILES O=C1CS(=O)(=O)c2ccccc2N1
Show InChI InChI=1S/C8H7NO3S/c10-8-5-13(11,12)7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
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n/an/a 3.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114267
PNG
(4-[(3-formyl-4-hydroxyphenyl)diazenyl]benzenesulfo...)
Show SMILES Oc1ccc(cc1C=O)N=Nc1ccc(cc1)S([O-])(=O)=O |w:10.11|
Show InChI InChI=1S/C13H10N2O5S/c16-8-9-7-11(3-6-13(9)17)15-14-10-1-4-12(5-2-10)21(18,19)20/h1-8,17H,(H,18,19,20)/p-1
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n/an/a 3.93E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM52992
PNG
(4,5,7,8-tetrahydroxy-1,2-naphthoquinone | 4,5,7,8-...)
Show SMILES Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
Show InChI InChI=1S/C10H6O6/c11-3-1-5(13)9(15)8-7(3)4(12)2-6(14)10(8)16/h1,11,13,15H,2H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114293
PNG
(1-bromanyl-2-[(2-bromophenyl)sulfonylmethylsulfony...)
Show SMILES Brc1ccccc1S(=O)(=O)CS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C13H10Br2O4S2/c14-10-5-1-3-7-12(10)20(16,17)9-21(18,19)13-8-4-2-6-11(13)15/h1-8H,9H2
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n/an/a 4.47E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM113989
PNG
(2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]...)
Show SMILES CN1[C@H]2CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]2COc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O
Show InChI InChI=1S/C24H25F4N3O6S/c1-31-19-8-5-16(11-22(32)29-13-24(26,27)28)37-21(19)12-36-20-9-4-15(10-18(20)23(31)33)30-38(34,35)17-6-2-14(25)3-7-17/h2-4,6-7,9-10,16,19,21,30H,5,8,11-13H2,1H3,(H,29,32)/t16-,19+,21-/m1/s1
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n/an/a 4.51E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM33185
PNG
(4-({(4Z)-1-oxo-4-[(phenylsulfonyl)imino]-1,4-dihyd...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
Show InChI InChI=1S/C23H16N2O5S/c26-22-19-9-5-4-8-18(19)20(25-31(29,30)17-6-2-1-3-7-17)14-21(22)24-16-12-10-15(11-13-16)23(27)28/h1-14,24H,(H,27,28)
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n/an/a 4.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM48480
PNG
(5-cyclopentylidene-2-sulfanylidene-1,3-thiazolidin...)
Show SMILES [#16]-[#6]-1=[#7]-[#6](=O)\[#6](-[#16]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |t:1|
Show InChI InChI=1S/C8H9NOS2/c10-7-6(12-8(11)9-7)5-3-1-2-4-5/h1-4H2,(H,9,10,11)
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n/an/a 4.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114302
PNG
(MLS004342536 | N-[(2R,4aS,12aS)-2-[2-(ethylamino)-...)
Show SMILES CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc5OCOc5c4)cc3C(=O)N2C)O1
Show InChI InChI=1S/C26H29N3O7/c1-3-27-24(30)12-17-6-7-19-23(36-17)13-33-20-9-5-16(11-18(20)26(32)29(19)2)28-25(31)15-4-8-21-22(10-15)35-14-34-21/h4-5,8-11,17,19,23H,3,6-7,12-14H2,1-2H3,(H,27,30)(H,28,31)/t17-,19+,23-/m1/s1
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n/an/a 4.78E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM45638
PNG
(3-(4-bromophenyl)-5-mesyl-1H-1,2,4-triazole | 3-(4...)
Show SMILES CS(=O)(=O)c1nnc([nH]1)-c1ccc(Br)cc1
Show InChI InChI=1S/C9H8BrN3O2S/c1-16(14,15)9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)
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n/an/a 5.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114265
PNG
(3,3'-[(5-chloro-2-hydroxy-3-methoxyphenyl)meth...)
Show SMILES COc1cc(Cl)cc(C(c2c([nH]c3ccccc23)C(O)=O)c2c([nH]c3ccccc23)C(O)=O)c1O
Show InChI InChI=1S/C26H19ClN2O6/c1-35-18-11-12(27)10-15(24(18)30)19(20-13-6-2-4-8-16(13)28-22(20)25(31)32)21-14-7-3-5-9-17(14)29-23(21)26(33)34/h2-11,19,28-30H,1H3,(H,31,32)(H,33,34)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM80049
PNG
(2-(trifluoromethyl)-1H-perimidine | MLS001359860 |...)
Show SMILES FC(F)(F)c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C12H7F3N2/c13-12(14,15)11-16-8-5-1-3-7-4-2-6-9(17-11)10(7)8/h1-6H,(H,16,17)
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n/an/a 5.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114238
PNG
(MLS000325723 | N-(2,4-dichlorophenyl)-2-[3-(triflu...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)CC(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H10Cl2F3NO2S/c16-10-4-5-13(12(17)7-10)21-14(22)8-24(23)11-3-1-2-9(6-11)15(18,19)20/h1-7H,8H2,(H,21,22)
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n/an/a 5.69E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114304
PNG
(MLS004488972 | N-[(2R,4aS,12aS)-5-methyl-6-oxidany...)
Show SMILES CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cncs4)cc3C(=O)N2C)O1
Show InChI InChI=1S/C23H28N4O5S/c1-3-8-25-21(28)10-15-5-6-17-19(32-15)12-31-18-7-4-14(9-16(18)23(30)27(17)2)26-22(29)20-11-24-13-33-20/h4,7,9,11,13,15,17,19H,3,5-6,8,10,12H2,1-2H3,(H,25,28)(H,26,29)/t15-,17+,19-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM53651
PNG
(MLS000075234 | N-[1-[2-[(2-fluorobenzyl)amino]-2-k...)
Show SMILES Fc1ccccc1CNC(=O)CN1CCC(CC1)NC(=O)c1ccccc1
Show InChI InChI=1S/C21H24FN3O2/c22-19-9-5-4-8-17(19)14-23-20(26)15-25-12-10-18(11-13-25)24-21(27)16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,23,26)(H,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114301
PNG
(2-[(2R,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-...)
Show SMILES CCNC(=O)Nc1ccc2OC[C@H]3O[C@@H](CC(=O)N[C@H](C)c4ccccc4)CC[C@@H]3N(C)C(=O)c2c1
Show InChI InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20-,22+,24-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114295
PNG
((6R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6...)
Show SMILES Oc1ccc(C[C@@H]2CNC(=O)C(=O)N2CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H18F6N2O3/c22-20(23,24)14-7-13(8-15(10-14)21(25,26)27)5-6-29-16(11-28-18(31)19(29)32)9-12-1-3-17(30)4-2-12/h1-4,7-8,10,16,30H,5-6,9,11H2,(H,28,31)/t16-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM48038
PNG
(4-[(E)-[3-(2-methylanilino)-4-oxo-1-naphthalenylid...)
Show SMILES Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:11.12,t:9|
Show InChI InChI=1S/C24H18N2O5S/c1-15-6-2-5-9-20(15)25-22-14-21(18-7-3-4-8-19(18)23(22)27)26-32(30,31)17-12-10-16(11-13-17)24(28)29/h2-14,25H,1H3,(H,28,29)
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n/an/a 9.01E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM52287
PNG
(4-[3-(5-Furan-2-yl-2H-pyrazol-3-yl)-5-mercapto-[1,...)
Show SMILES OC(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1
Show InChI InChI=1S/C16H11N5O3S/c22-15(23)9-3-5-10(6-4-9)21-14(19-20-16(21)25)12-8-11(17-18-12)13-2-1-7-24-13/h1-8H,(H,17,18)(H,20,25)(H,22,23)
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n/an/a 1.02E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114221
PNG
((5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-yliden...)
Show SMILES Oc1ccccc1-c1nn[nH]c1C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N4O2/c21-13-9-5-4-8-12(13)14-15(19-20-18-14)16(22)17-10-11-6-2-1-3-7-11/h1-9,21H,10H2,(H,17,22)(H,18,19,20)
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n/an/a 1.08E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114228
PNG
(1-butyl-3-[(5-ethylthiophen-3-yl)carbonylamino]thi...)
Show SMILES CCCCNC(=S)NNC(=O)c1csc(CC)c1
Show InChI InChI=1S/C12H19N3OS2/c1-3-5-6-13-12(17)15-14-11(16)9-7-10(4-2)18-8-9/h7-8H,3-6H2,1-2H3,(H,14,16)(H2,13,15,17)
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n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50046757
PNG
(2-Cyano-3-(3,4,5-trihydroxy-phenyl)-acrylamide | C...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H8N2O4/c11-4-6(10(12)16)1-5-2-7(13)9(15)8(14)3-5/h1-3,13-15H,(H2,12,16)/b6-1+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM80810
PNG
(7-amino-6-chloro-5,8-diketo-naphthalene-2-sulfonam...)
Show SMILES NC1=C(Cl)C(=O)c2ccc(cc2C1=O)S(N)(=O)=O |c:1|
Show InChI InChI=1S/C10H7ClN2O4S/c11-7-8(12)10(15)6-3-4(18(13,16)17)1-2-5(6)9(7)14/h1-3H,12H2,(H2,13,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50393292
PNG
(CHEMBL2138065 | cid_46742345)
Show SMILES CC(C)(C)c1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1
Show InChI InChI=1S/C25H25N5/c1-25(2,3)20-14-12-18(13-15-20)17-27-24-22(19-9-5-4-6-10-19)29-30-23(28-24)21-11-7-8-16-26-21/h4-16H,17H2,1-3H3,(H,27,28,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114246
PNG
(3-(2-methoxyphenyl)-2-[(2-oxolanylmethylamino)meth...)
Show SMILES COc1ccccc1-n1c(CNCC2CCCO2)nc2ccccc2c1=O |(3.08,-.41,;4.41,-1.18,;4.41,-2.72,;3.08,-3.49,;3.08,-5.03,;4.41,-5.8,;5.75,-5.03,;5.75,-3.49,;7.08,-2.72,;7.08,-1.18,;5.75,-.41,;5.75,1.13,;4.41,1.9,;4.41,3.44,;5.66,4.34,;5.18,5.8,;3.64,5.8,;3.17,4.34,;8.41,-.41,;9.75,-1.18,;11.13,-.36,;12.52,-1.15,;12.52,-2.76,;11.13,-3.55,;9.75,-2.72,;8.41,-3.49,;8.41,-5.03,)|
Show InChI InChI=1S/C21H23N3O3/c1-26-19-11-5-4-10-18(19)24-20(14-22-13-15-7-6-12-27-15)23-17-9-3-2-8-16(17)21(24)25/h2-5,8-11,15,22H,6-7,12-14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114269
PNG
(MLS001204408 | N-(4-Benzoylamino-3-methyl-phenyl)-...)
Show SMILES CCOc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1
Show InChI InChI=1S/C23H22N2O3/c1-3-28-20-11-7-10-18(15-20)23(27)24-19-12-13-21(16(2)14-19)25-22(26)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3,(H,24,27)(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114289
PNG
(MLS002633114 | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-...)
Show SMILES COc1ccc(CCNC(=O)CC2S\C(=N\C)N(C)C2=O)cc1OC
Show InChI InChI=1S/C17H23N3O4S/c1-18-17-20(2)16(22)14(25-17)10-15(21)19-8-7-11-5-6-12(23-3)13(9-11)24-4/h5-6,9,14H,7-8,10H2,1-4H3,(H,19,21)/b18-17+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114250
PNG
(2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-[(2,6...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)nc(OC)n1
Show InChI InChI=1S/C22H19N5O7S/c1-33-19-11-17(24-22(25-19)34-2)26-35(31,32)14-9-7-13(8-10-14)23-18(28)12-27-20(29)15-5-3-4-6-16(15)21(27)30/h3-11H,12H2,1-2H3,(H,23,28)(H,24,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114290
PNG
(5-chloranyl-2-oxidanyl-3-[(2E)-2-(2-oxidanyl-4-oxi...)
Show SMILES Oc1ccc(N=Nc2cc(Cl)cc(c2O)S(O)(=O)=O)c(O)c1 |w:6.6|
Show InChI InChI=1S/C12H9ClN2O6S/c13-6-3-9(12(18)11(4-6)22(19,20)21)15-14-8-2-1-7(16)5-10(8)17/h1-5,16-18H,(H,19,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114273
PNG
(2-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]e...)
Show SMILES [H]C12CC3([H])CC(C1)(CC(C2)(C3)c1ccc(C)cc1)C(=O)NCC(O)=O |TLB:5:3:10:6.8.7,THB:5:6:10:3.11.2,2:3:8:1.10.7,19:6:10:3.11.2|
Show InChI InChI=1S/C20H25NO3/c1-13-2-4-16(5-3-13)19-7-14-6-15(8-19)10-20(9-14,12-19)18(24)21-11-17(22)23/h2-5,14-15H,6-12H2,1H3,(H,21,24)(H,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM69310
PNG
(3-(2,4-dichlorophenyl)-1H-quinazoline-2,4-dione | ...)
Show SMILES Clc1ccc(c(Cl)c1)-n1c(=O)[nH]c2ccccc2c1=O |(3.08,-3.17,;4.41,-2.4,;5.75,-3.17,;7.08,-2.4,;7.08,-.86,;5.75,-.09,;5.75,1.45,;4.41,-.86,;8.41,-.09,;8.41,1.45,;7.08,2.22,;9.75,2.22,;11.08,1.45,;12.46,2.27,;13.85,1.48,;13.85,-.12,;12.46,-.92,;11.08,-.09,;9.75,-.86,;9.75,-2.4,)|
Show InChI InChI=1S/C14H8Cl2N2O2/c15-8-5-6-12(10(16)7-8)18-13(19)9-3-1-2-4-11(9)17-14(18)20/h1-7H,(H,17,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114271
PNG
(MLS001166316 | N-[2-(hydroxymethyl)-2,3-dihydro-1H...)
Show SMILES CN(C1C(CO)COc2ccc3ccccc3c12)C(=O)c1ccccc1
Show InChI InChI=1S/C22H21NO3/c1-23(22(25)16-8-3-2-4-9-16)21-17(13-24)14-26-19-12-11-15-7-5-6-10-18(15)20(19)21/h2-12,17,21,24H,13-14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114249
PNG
(MLS000622065 | N-[4-(5-tert-butyl-1,2,3-triazol-1-...)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(cc1)-n1nncc1C(C)(C)C
Show InChI InChI=1S/C20H22N4O2/c1-20(2,3)18-13-21-23-24(18)16-10-8-15(9-11-16)22-19(25)14-6-5-7-17(12-14)26-4/h5-13H,1-4H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM53127
PNG
(3-[3-(3-Furan-2-yl-acryloyl)-thioureido]-benzoic a...)
Show SMILES OC(=O)c1cccc(NC(=S)NC(=O)C=Cc2ccco2)c1 |w:15.15|
Show InChI InChI=1S/C15H12N2O4S/c18-13(7-6-12-5-2-8-21-12)17-15(22)16-11-4-1-3-10(9-11)14(19)20/h1-9H,(H,19,20)(H2,16,17,18,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114300
PNG
(2-[(2S,4aR,12aR)-8-[(3-fluorobenzoyl)amino]-6-keto...)
Show SMILES COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1
Show InChI InChI=1S/C24H25FN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19+,21-/m0/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114242
PNG
(2-(benzylthio)-N-(3-fluorophenyl)acetamide | 2-ben...)
Show SMILES Fc1cccc(NC(=O)CSCc2ccccc2)c1
Show InChI InChI=1S/C15H14FNOS/c16-13-7-4-8-14(9-13)17-15(18)11-19-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114239
PNG
(MLS000327632 | N'-(4-chlorophenyl)-N-hydroxy-benza...)
Show SMILES ONC(=Nc1ccc(Cl)cc1)c1ccccc1 |w:3.3|
Show InChI InChI=1S/C13H11ClN2O/c14-11-6-8-12(9-7-11)15-13(16-17)10-4-2-1-3-5-10/h1-9,17H,(H,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM54281
PNG
(2-[2-(N-methylanilino)-2-oxoethoxy]-N-(2-phenoxyet...)
Show SMILES CN(C(=O)COc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H24N2O4/c1-26(19-10-4-2-5-11-19)23(27)18-30-22-15-9-8-14-21(22)24(28)25-16-17-29-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,25,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114234
PNG
(4-tert-butyl-N-phenyl-1-cyclohexanecarboxamide | 4...)
Show SMILES CC(C)(C)C1CCC(CC1)C(=O)Nc1ccccc1 |(5.75,6.55,;5.75,5.01,;7.29,5.01,;4.21,5.01,;5.75,3.47,;4.41,2.7,;4.41,1.16,;5.75,.39,;7.08,1.16,;7.08,2.7,;5.75,-1.16,;7.08,-1.93,;4.41,-1.93,;4.41,-3.47,;3.08,-4.24,;3.08,-5.78,;4.41,-6.55,;5.75,-5.78,;5.75,-4.24,)|
Show InChI InChI=1S/C17H25NO/c1-17(2,3)14-11-9-13(10-12-14)16(19)18-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114218
PNG
(MLS000087109 | N-(2,4-difluorophenyl)-5-(2-methoxy...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C17H12F2N2O3/c1-23-15-5-3-2-4-11(15)16-9-14(21-24-16)17(22)20-13-7-6-10(18)8-12(13)19/h2-9H,1H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50679
PNG
((5Z)-5-(2-furanylmethylidene)-3-(3-pyridinyl)-2-su...)
Show SMILES O=C1N(C(=S)S\C1=C/c1ccco1)c1cccnc1
Show InChI InChI=1S/C13H8N2O2S2/c16-12-11(7-10-4-2-6-17-10)19-13(18)15(12)9-3-1-5-14-8-9/h1-8H/b11-7-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM71288
PNG
(3,5-bisnitro-4-methyl-2-(phenylsulfanyl)pyridine |...)
Show SMILES Cc1c(cnc(Sc2ccccc2)c1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C12H9N3O4S/c1-8-10(14(16)17)7-13-12(11(8)15(18)19)20-9-5-3-2-4-6-9/h2-7H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM60955
PNG
(4-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-6-9(3-4-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114223
PNG
(2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-...)
Show SMILES CCOC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1C |(18.96,3.28,;17.46,3.6,;16.43,2.46,;14.92,2.78,;14.45,4.24,;13.89,1.64,;12.38,1.96,;11.35,.82,;11.67,-.69,;10.33,-1.46,;9.19,-.43,;7.68,-.74,;7.2,-2.21,;5.75,-2.68,;4.41,-1.91,;3.08,-2.68,;3.08,-4.22,;4.41,-4.99,;5.75,-4.22,;7.2,-4.68,;8.1,-3.45,;9.64,-3.45,;9.82,.98,;9.05,2.32,;7.51,2.32,;6.74,3.65,;7.52,4.99,;9.06,4.98,;9.82,3.65,;11.36,3.65,)|
Show InChI InChI=1S/C21H20N4O3S2/c1-3-28-19(26)13-29-20-23-22-18(25(20)15-9-5-4-8-14(15)2)12-24-16-10-6-7-11-17(16)30-21(24)27/h4-11H,3,12-13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM65650
PNG
(3-(4-methylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-t...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C18H17N3O3S2/c1-13-2-4-15(5-3-13)26(23,24)11-8-17(22)21-18-20-16(12-25-18)14-6-9-19-10-7-14/h2-7,9-10,12H,8,11H2,1H3,(H,20,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114215
PNG
(3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-...)
Show SMILES O=c1n(CCN2CCOCC2)cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C16H18N4O2/c21-16-15-14(12-3-1-2-4-13(12)18-15)17-11-20(16)6-5-19-7-9-22-10-8-19/h1-4,11,18H,5-10H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM61252
PNG
(5-[2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C18H14N2O6S2/c1-9(15(22)19-10-4-5-13(21)12(7-10)17(24)25)20-16(23)14(28-18(20)27)8-11-3-2-6-26-11/h2-9,21H,1H3,(H,19,22)(H,24,25)/b14-8-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM80404
PNG
(2-(2-methyl-1,3-dioxolan-2-yl)-N'-[(E)-(5-nitro-2-...)
Show SMILES CC1(CC(=O)N[NH+]=C[c-]2cc([N+]([O-])=O)c(=O)cc2O)OCCO1 |w:6.5|
Show InChI InChI=1S/C13H14N3O7/c1-13(22-2-3-23-13)6-12(19)15-14-7-8-4-9(16(20)21)11(18)5-10(8)17/h4-5,7,17H,2-3,6H2,1H3,(H,15,19)/q-1/p+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114229
PNG
(MLS000540469 | N-(4-methoxyphenyl)-3-(2-thienyl)-6...)
Show SMILES COc1ccc(NC(=O)c2sc3cc(cnc3c2-c2cccs2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H13F3N2O2S2/c1-27-13-6-4-12(5-7-13)25-19(26)18-16(14-3-2-8-28-14)17-15(29-18)9-11(10-24-17)20(21,22)23/h2-10H,1H3,(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM54806
PNG
((2E)-3-{1-[3-(dipropylamino)-2-hydroxypropyl]-1H-i...)
Show SMILES CCCN(CCC)CC(O)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C24H30N2O2S/c1-3-13-25(14-4-2)17-20(27)18-26-16-19(21-8-5-6-9-22(21)26)11-12-23(28)24-10-7-15-29-24/h5-12,15-16,20,27H,3-4,13-14,17-18H2,1-2H3/b12-11+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114214
PNG
(1-[4-(3-Benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]...)
Show SMILES O=C(Cc1cccs1)N1CCC(CC1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1
Show InChI InChI=1S/C22H22N6O2S/c29-18(13-17-7-4-12-31-17)27-10-8-16(9-11-27)20-23-21-19(22(30)24-20)25-26-28(21)14-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,23,24,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114224
PNG
(1-butyl-3-[(5-methylthiophen-3-yl)carbonylamino]th...)
Show SMILES CCCCNC(=S)NNC(=O)c1csc(C)c1
Show InChI InChI=1S/C11H17N3OS2/c1-3-4-5-12-11(16)14-13-10(15)9-6-8(2)17-7-9/h6-7H,3-5H2,1-2H3,(H,13,15)(H2,12,14,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM76226
PNG
(2-[4-[(5E)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES OC(=O)c1cc(O)ccc1NC(=O)CCCN1C(=S)S\C(=C\c2ccco2)C1=O
Show InChI InChI=1S/C19H16N2O6S2/c22-11-5-6-14(13(9-11)18(25)26)20-16(23)4-1-7-21-17(24)15(29-19(21)28)10-12-3-2-8-27-12/h2-3,5-6,8-10,22H,1,4,7H2,(H,20,23)(H,25,26)/b15-10+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114298
PNG
((3S,6S)-1-acetyl-3-ethyl-N-(4-methylphenyl)sulfony...)
Show SMILES CC[C@@H]1CN([C@@H](C=C1)C(=O)NS(=O)(=O)c1ccc(C)cc1)C(C)=O |c:6|
Show InChI InChI=1S/C17H22N2O4S/c1-4-14-7-10-16(19(11-14)13(3)20)17(21)18-24(22,23)15-8-5-12(2)6-9-15/h5-10,14,16H,4,11H2,1-3H3,(H,18,21)/t14-,16-/m0/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114264
PNG
(3-[1,3-bis(oxidanylidene)-5-[(3,4,5-trimethoxyphen...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2C(=O)N(CCC(O)=O)C(=O)c2c1
Show InChI InChI=1S/C21H20N2O8/c1-29-15-8-11(9-16(30-2)18(15)31-3)19(26)22-12-4-5-13-14(10-12)21(28)23(20(13)27)7-6-17(24)25/h4-5,8-10H,6-7H2,1-3H3,(H,22,26)(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50092284
PNG
(5-[(E)-3-(5-Nitro-furan-2-yl)-prop-2-en-(Z)-yliden...)
Show SMILES [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|
Show InChI InChI=1S/C10H6N2O4S2/c13-9-7(18-10(17)11-9)3-1-2-6-4-5-8(16-6)12(14)15/h1-5H,(H,11,13,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114248
PNG
(MLS000708933 | N-(6-benzamido-4-methyl-3-pyridinyl...)
Show SMILES Cc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1cccs1
Show InChI InChI=1S/C18H15N3O2S/c1-12-10-16(21-17(22)13-6-3-2-4-7-13)19-11-14(12)20-18(23)15-8-5-9-24-15/h2-11H,1H3,(H,20,23)(H,19,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114213
PNG
(1-{4-[3-(2-Chloro-benzyl)-7-hydroxy-3H-[1,2,3]tria...)
Show SMILES Clc1ccccc1Cn1nnc2c1nc([nH]c2=O)C1CCN(CC1)C(=O)Cc1cccs1
Show InChI InChI=1S/C22H21ClN6O2S/c23-17-6-2-1-4-15(17)13-29-21-19(26-27-29)22(31)25-20(24-21)14-7-9-28(10-8-14)18(30)12-16-5-3-11-32-16/h1-6,11,14H,7-10,12-13H2,(H,24,25,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM64608
PNG
(2-(3,4-dichlorophenyl)-N'-[(2-thienylcarbonyl)...)
Show SMILES Clc1ccc(CC(=N)NOC(=O)c2cccs2)cc1Cl
Show InChI InChI=1S/C13H10Cl2N2O2S/c14-9-4-3-8(6-10(9)15)7-12(16)17-19-13(18)11-2-1-5-20-11/h1-6H,7H2,(H2,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114244
PNG
(1-(2-methylpropyl)-3-[(5-methylthiophen-3-yl)carbo...)
Show SMILES CC(C)CNC(=S)NNC(=O)c1csc(C)c1
Show InChI InChI=1S/C11H17N3OS2/c1-7(2)5-12-11(16)14-13-10(15)9-4-8(3)17-6-9/h4,6-7H,5H2,1-3H3,(H,13,15)(H2,12,14,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114241
PNG
(1-(1-adamantyl)-4-nitro-N-(p-tolyl)pyrazole-3-carb...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(c(n1)C(=O)Nc1ccc(C)cc1)[N+]([O-])=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Show InChI InChI=1S/C21H24N4O3/c1-13-2-4-17(5-3-13)22-20(26)19-18(25(27)28)12-24(23-19)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,12,14-16H,6-11H2,1H3,(H,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114231
PNG
(MLS000551486 | N-[3-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)c2ccccc2F)C(=O)c2ccccc2C1=O |c:12|
Show InChI InChI=1S/C27H24FN3O4S/c1-18-10-12-19(13-11-18)36(34,35)29-24-25(27(33)21-7-3-2-6-20(21)26(24)32)31-16-14-30(15-17-31)23-9-5-4-8-22(23)28/h2-13,29H,14-17H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114217
PNG
((5E)-1-benzyl-5-[1-(oxolan-2-ylmethylamino)propyli...)
Show SMILES CCC(NCC1CCCO1)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:2.2|
Show InChI InChI=1S/C19H23N3O4/c1-2-15(20-11-14-9-6-10-26-14)16-17(23)21-19(25)22(18(16)24)12-13-7-4-3-5-8-13/h3-5,7-8,14,20H,2,6,9-12H2,1H3,(H,21,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM53139
PNG
(4-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]ben...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:14.14|
Show InChI InChI=1S/C15H12N2O4S/c18-13(8-7-12-2-1-9-21-12)17-15(22)16-11-5-3-10(4-6-11)14(19)20/h1-9H,(H,19,20)(H2,16,17,18,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM77412
PNG
(4-(benzenesulfonyl)-5-(4-chlorophenyl)-1-phenylpyr...)
Show SMILES Clc1ccc(cc1)-c1c(cnn1-c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H15ClN2O2S/c22-17-13-11-16(12-14-17)21-20(27(25,26)19-9-5-2-6-10-19)15-23-24(21)18-7-3-1-4-8-18/h1-15H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114285
PNG
(MLS001160676 | SMR000711575 | [3-[4-(4-fluoropheny...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N1CCCC(C1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N3O3S/c24-19-6-8-20(9-7-19)28-11-13-30(14-12-28)34(32,33)21-5-1-3-17(15-21)22(31)29-10-2-4-18(16-29)23(25,26)27/h1,3,5-9,15,18H,2,4,10-14,16H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114261
PNG
(1-[(2-benzyl-5-tert-butyl-pyrazole-3-carbonyl)amin...)
Show SMILES CC(C)(C)c1cc(C(=O)NNC(=O)Nc2ccccc2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C22H25N5O2/c1-22(2,3)19-14-18(27(26-19)15-16-10-6-4-7-11-16)20(28)24-25-21(29)23-17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,24,28)(H2,23,25,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114253
PNG
(4-{(E)-[2-(3-hydroxybenzoyl)hydrazono]methyl}pheny...)
Show SMILES Oc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C21H16N2O4/c24-18-8-4-7-17(13-18)20(25)23-22-14-15-9-11-19(12-10-15)27-21(26)16-5-2-1-3-6-16/h1-14,24H,(H,23,25)/b22-14+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114278
PNG
(Benzo[1,3]dioxole-5-carboxylic acid (4-benzoylamin...)
Show SMILES Cc1cc(NC(=O)c2ccc3OCOc3c2)ccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c1-14-11-17(8-9-18(14)24-21(25)15-5-3-2-4-6-15)23-22(26)16-7-10-19-20(12-16)28-13-27-19/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM87550
PNG
(3-[1-[1-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)propyl...)
Show SMILES CCC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1nnnn1C1CCCCC1
Show InChI InChI=1S/C22H31N7O/c1-2-19(21-24-25-26-29(21)17-8-4-3-5-9-17)27-14-12-16(13-15-27)28-20-11-7-6-10-18(20)23-22(28)30/h6-7,10-11,16-17,19H,2-5,8-9,12-15H2,1H3,(H,23,30)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM71684
PNG
((5E)-1-cyclohexyl-5-[1-(2-furanylmethylamino)propy...)
Show SMILES CCC(NCc1ccco1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:10.25|
Show InChI InChI=1S/C18H23N3O4/c1-2-14(19-11-13-9-6-10-25-13)15-16(22)20-18(24)21(17(15)23)12-7-4-3-5-8-12/h6,9-10,12,19H,2-5,7-8,11H2,1H3,(H,20,22,24)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114276
PNG
(3-[4-(1-azepanyl)-3-nitrophenyl]-3-[[2-(1-naphthal...)
Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H30N4O4/c28-26(32)18-23(29-27(33)17-20-10-7-9-19-8-3-4-11-22(19)20)21-12-13-24(25(16-21)31(34)35)30-14-5-1-2-6-15-30/h3-4,7-13,16,23H,1-2,5-6,14-15,17-18H2,(H2,28,32)(H,29,33)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM60912
PNG
(4-[3-[(5E)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\c3ccco3)C2=O)cc1O
Show InChI InChI=1S/C18H14N2O6S2/c21-13-8-10(3-4-12(13)17(24)25)19-15(22)5-6-20-16(23)14(28-18(20)27)9-11-2-1-7-26-11/h1-4,7-9,21H,5-6H2,(H,19,22)(H,24,25)/b14-9+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114279
PNG
(3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-nit...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(c2c1)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H17ClN4O4S/c19-13-2-1-3-14(10-13)21-6-8-22(9-7-21)28(26,27)18-12-20-17-5-4-15(23(24)25)11-16(17)18/h1-5,10-12,20H,6-9H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50634
PNG
(4-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C14H13NO4S2/c16-12(17)7-2-8-15-13(18)11(21-14(15)20)6-1-4-10-5-3-9-19-10/h1,3-6,9H,2,7-8H2,(H,16,17)/b4-1+,11-6-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114243
PNG
(1-[2-(4-bromo-2-chloro-phenoxy)acetyl]pyrrolidine-...)
Show SMILES COC(=O)C1CCCN1C(=O)COc1ccc(Br)cc1Cl
Show InChI InChI=1S/C14H15BrClNO4/c1-20-14(19)11-3-2-6-17(11)13(18)8-21-12-5-4-9(15)7-10(12)16/h4-5,7,11H,2-3,6,8H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114275
PNG
(3-(2,4-dichlorobenzyl)-5-methoxy-1-methyl-pyrido[2...)
Show SMILES COc1ccnc2n(C)c(=O)n(Cc3ccc(Cl)cc3Cl)c(=O)c12
Show InChI InChI=1S/C16H13Cl2N3O3/c1-20-14-13(12(24-2)5-6-19-14)15(22)21(16(20)23)8-9-3-4-10(17)7-11(9)18/h3-7H,8H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114291
PNG
(8-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)-1-naphtho...)
Show SMILES OC(=O)c1cccc2cccc(-c3c4ccc(O)c(O)c4oc4c(O)c(=O)ccc34)c12 |(4.7,1.65,;6.16,1.41,;6.69,.02,;7.1,2.55,;6.56,3.99,;7.55,5.17,;9.07,4.89,;9.57,3.44,;11.03,3.18,;11.53,1.79,;10.58,.66,;9.13,.92,;8.18,-.22,;9.46,-.96,;10.78,-.17,;12.12,-.93,;12.12,-2.47,;13.4,-3.21,;10.78,-3.23,;10.76,-4.7,;9.46,-2.44,;8.18,-3.17,;6.9,-2.44,;5.57,-3.23,;5.59,-4.7,;4.23,-2.47,;2.96,-3.21,;4.23,-.93,;5.57,-.17,;6.9,-.96,;8.62,2.3,)|
Show InChI InChI=1S/C24H14O7/c25-16-9-7-13-19(12-5-1-3-11-4-2-6-15(18(11)12)24(29)30)14-8-10-17(26)21(28)23(14)31-22(13)20(16)27/h1-10,25,27-28H,(H,29,30)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM60983
PNG
((E)-2-(3,4-dihydroxybenzoyl)-3-(4-hydroxy-3-iodo-5...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
Show InChI InChI=1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114259
PNG
(3-[5-[(E)-(1-ketothiazolo[3,2-a]benzimidazol-2-yli...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2\sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C21H12N2O4S/c24-19-18(28-21-22-15-6-1-2-7-16(15)23(19)21)11-14-8-9-17(27-14)12-4-3-5-13(10-12)20(25)26/h1-11H,(H,25,26)/b18-11+
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM55038
PNG
((2E,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,12-15,17,25,27,32H,1H2,2-3H3,(H2,23,31)/t10-,12?,13?,14-,15+,17+,22+/m1/s1
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM47961
PNG
((2Z)-1,3-diketo-2-[(5-methyl-2-furyl)methylene]ind...)
Show SMILES Cc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)o1
Show InChI InChI=1S/C16H10O5/c1-8-2-4-10(21-8)7-13-14(17)11-5-3-9(16(19)20)6-12(11)15(13)18/h2-7H,1H3,(H,19,20)/b13-7-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114284
PNG
(2-(2,5-diketospiro[imidazolidine-4,1'-tetralin]-1-...)
Show SMILES COc1ccc(CCN(C)C(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)cc1OC
Show InChI InChI=1S/C25H29N3O5/c1-27(14-12-17-10-11-20(32-2)21(15-17)33-3)22(29)16-28-23(30)25(26-24(28)31)13-6-8-18-7-4-5-9-19(18)25/h4-5,7,9-11,15H,6,8,12-14,16H2,1-3H3,(H,26,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM52774
PNG
((2Z)-2-(4-ethylbenzylidene)-6-hydroxy-7-[[4-(2-hyd...)
Show SMILES CCc1ccc(\C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1
Show InChI InChI=1S/C24H28N2O4/c1-2-17-3-5-18(6-4-17)15-22-23(29)19-7-8-21(28)20(24(19)30-22)16-26-11-9-25(10-12-26)13-14-27/h3-8,15,27-28H,2,9-14,16H2,1H3/b22-15-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM41028
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Show InChI InChI=1S/C13H11NO4S2/c1-8(12(16)17)14-11(15)10(20-13(14)19)6-2-4-9-5-3-7-18-9/h2-8H,1H3,(H,16,17)/b4-2+,10-6-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114288
PNG
(4-formylbenzoic acid [2-[(6-amino-1-benzyl-2,4-dik...)
Show SMILES CCN(C(=O)COC(=O)c1ccc(C=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H22N4O6/c1-2-26(18(29)14-33-22(31)17-10-8-16(13-28)9-11-17)19-20(24)27(23(32)25-21(19)30)12-15-6-4-3-5-7-15/h3-11,13H,2,12,14,24H2,1H3,(H,25,30,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50387
PNG
(1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...)
Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|
Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM47669
PNG
(3-(2-{(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidi...)
Show SMILES OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
Show InChI InChI=1S/C21H14ClN3O4/c22-14-6-8-15(9-7-14)25-19(26)18(23-21(25)29)12-17-5-2-10-24(17)16-4-1-3-13(11-16)20(27)28/h1-12H,(H,23,29)(H,27,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114281
PNG
(MLS001158792 | N-(3-chlorophenyl)-2-(3-ethyl-5-met...)
Show SMILES CCn1c2nc(C)n(CC(=O)Nc3cccc(Cl)c3)c(=O)c2sc1=S
Show InChI InChI=1S/C16H15ClN4O2S2/c1-3-20-14-13(25-16(20)24)15(23)21(9(2)18-14)8-12(22)19-11-6-4-5-10(17)7-11/h4-7H,3,8H2,1-2H3,(H,19,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114303
PNG
(2-pyrazinecarboxylic acid [(1S,2R,3S)-2'-oxo-2-[(1...)
Show SMILES O=C(CCc1ccccc1)N[C@H]1[C@H](CCC[C@@]11C(=O)N(Cc2ccccc2)c2ccccc12)OC(=O)c1cnccn1
Show InChI InChI=1S/C34H32N4O4/c39-30(18-17-24-10-3-1-4-11-24)37-31-29(42-32(40)27-22-35-20-21-36-27)16-9-19-34(31)26-14-7-8-15-28(26)38(33(34)41)23-25-12-5-2-6-13-25/h1-8,10-15,20-22,29,31H,9,16-19,23H2,(H,37,39)/t29-,31-,34-/m0/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM81014
PNG
(1-(2,3-dihydroindol-1-yl)-2-(1-methylindol-3-yl)su...)
Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C19H18N2O3S/c1-20-12-18(15-7-3-5-9-17(15)20)25(23,24)13-19(22)21-11-10-14-6-2-4-8-16(14)21/h2-9,12H,10-11,13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114237
PNG
(MLS000325661 | N-(2-chlorophenyl)-2-(3-chloropheny...)
Show SMILES Clc1cccc(c1)S(=O)CC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2S/c15-10-4-3-5-11(8-10)20(19)9-14(18)17-13-7-2-1-6-12(13)16/h1-8H,9H2,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114226
PNG
(2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyra...)
Show SMILES Cc1c(N2C(=O)c3cccc4cccc(C2=O)c34)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C23H17N3O3/c1-14-20(23(29)26(24(14)2)16-10-4-3-5-11-16)25-21(27)17-12-6-8-15-9-7-13-18(19(15)17)22(25)28/h3-13H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM113990
PNG
(2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)carbamoylamino...)
Show SMILES CN1[C@H]2CC[C@H](CC(=O)NCc3ccc(cc3)-c3ccccc3)O[C@@H]2COc2ccc(NC(=O)Nc3ccccc3F)cc2C1=O
Show InChI InChI=1S/C36H35FN4O5/c1-41-31-17-16-27(20-34(42)38-21-23-11-13-25(14-12-23)24-7-3-2-4-8-24)46-33(31)22-45-32-18-15-26(19-28(32)35(41)43)39-36(44)40-30-10-6-5-9-29(30)37/h2-15,18-19,27,31,33H,16-17,20-22H2,1H3,(H,38,42)(H2,39,40,44)/t27-,31+,33-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114225
PNG
(MLS000121970 | N-[1-(1-Cyclopentyl-1H-tetrazol-5-y...)
Show SMILES Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1
Show InChI InChI=1S/C20H28N6O/c1-15-6-2-5-9-18(15)20(27)21-16-10-12-25(13-11-16)14-19-22-23-24-26(19)17-7-3-4-8-17/h2,5-6,9,16-17H,3-4,7-8,10-14H2,1H3,(H,21,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114227
PNG
(Furan-2-carboxylic acid [2-chloro-4-(4-isopropoxy-...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
Show InChI InChI=1S/C21H19ClN2O4/c1-13(2)28-16-8-5-14(6-9-16)20(25)23-15-7-10-18(17(22)12-15)24-21(26)19-4-3-11-27-19/h3-13H,1-2H3,(H,23,25)(H,24,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114260
PNG
(3-(4-{5-[1-Furan-2-yl-meth-(Z)-ylidene]-4-oxo-2-th...)
Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccco3)C2=O)c1
Show InChI InChI=1S/C19H16N2O5S2/c22-16(20-13-5-1-4-12(10-13)18(24)25)7-2-8-21-17(23)15(28-19(21)27)11-14-6-3-9-26-14/h1,3-6,9-11H,2,7-8H2,(H,20,22)(H,24,25)/b15-11-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114236
PNG
(2-(Toluene-4-sulfonylmethyl)-3H-quinazolin-4-one |...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O3S/c1-11-6-8-12(9-7-11)22(20,21)10-15-17-14-5-3-2-4-13(14)16(19)18-15/h2-9H,10H2,1H3,(H,17,18,19)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114232
PNG
(MLS000564840 | N-[4-(phenoxymethyl)-1,3-thiazol-2-...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1nc(COc2ccccc2)cs1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
Show InChI InChI=1S/C21H24N2O2S/c24-19(21-9-14-6-15(10-21)8-16(7-14)11-21)23-20-22-17(13-26-20)12-25-18-4-2-1-3-5-18/h1-5,13-16H,6-12H2,(H,22,23,24)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114287
PNG
(2-(4-chloro-3-methyl-phenoxy)acetic acid [2-keto-2...)
Show SMILES Cc1cc(OCC(=O)OCC(=O)NCc2ccc3OCOc3c2)ccc1Cl
Show InChI InChI=1S/C19H18ClNO6/c1-12-6-14(3-4-15(12)20)24-10-19(23)25-9-18(22)21-8-13-2-5-16-17(7-13)27-11-26-16/h2-7H,8-11H2,1H3,(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114247
PNG
(3-(4-bromanyl-2-chloranyl-phenoxy)-N-(2-methoxyeth...)
Show SMILES COCCNCCCOc1ccc(Br)cc1Cl
Show InChI InChI=1S/C12H17BrClNO2/c1-16-8-6-15-5-2-7-17-12-4-3-10(13)9-11(12)14/h3-4,9,15H,2,5-8H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50232262
PNG
(4-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolid...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C\c2ccco2)C1=O
Show InChI InChI=1S/C12H11NO4S2/c14-10(15)4-1-5-13-11(16)9(19-12(13)18)7-8-3-2-6-17-8/h2-3,6-7H,1,4-5H2,(H,14,15)/b9-7+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM77413
PNG
(4-(benzenesulfonyl)-5-(4-fluorophenyl)-1-phenylpyr...)
Show SMILES Fc1ccc(cc1)-c1c(cnn1-c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H15FN2O2S/c22-17-13-11-16(12-14-17)21-20(27(25,26)19-9-5-2-6-10-19)15-23-24(21)18-7-3-1-4-8-18/h1-15H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114245
PNG
(1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(NC(=S)NN=CC=Cc2ccc(cc2)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C |w:7.6,10.10|
Show InChI InChI=1S/C21H20N6O3S/c1-15-19(20(28)26(25(15)2)17-8-4-3-5-9-17)23-21(31)24-22-14-6-7-16-10-12-18(13-11-16)27(29)30/h3-14H,1-2H3,(H2,23,24,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114296
PNG
(MLS003370598 | N-[2-[1-[2-(4-methylphenoxy)ethyl]-...)
Show SMILES Cc1ccc(OCCn2c(CCNC(=O)C3CCCCCC3)nc3ccccc23)cc1
Show InChI InChI=1S/C26H33N3O2/c1-20-12-14-22(15-13-20)31-19-18-29-24-11-7-6-10-23(24)28-25(29)16-17-27-26(30)21-8-4-2-3-5-9-21/h6-7,10-15,21H,2-5,8-9,16-19H2,1H3,(H,27,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114277
PNG
((2-methoxy-1-naphthyl)methyl-[2-(4-methoxyphenyl)e...)
Show SMILES COc1ccc(CCNCc2c(OC)ccc3ccccc23)cc1
Show InChI InChI=1S/C21H23NO2/c1-23-18-10-7-16(8-11-18)13-14-22-15-20-19-6-4-3-5-17(19)9-12-21(20)24-2/h3-12,22H,13-15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114258
PNG
(3-nitro-4-[2-[(E)-(2-oxidanyl-4-oxidanylidene-cycl...)
Show SMILES NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])cc2O)c(c1)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C13H12N4O6S/c14-24(22,23)10-3-4-11(12(6-10)17(20)21)16-15-7-8-1-2-9(18)5-13(8)19/h1-6,18-19H,7H2,(H2,14,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114219
PNG
(2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(4-metho...)
Show SMILES CCc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1
Show InChI InChI=1S/C22H26N4O4S/c1-5-17-7-6-8-18(13-17)23-21(27)14-26(19-9-11-20(30-4)12-10-19)31(28,29)22-15(2)24-25-16(22)3/h6-13H,5,14H2,1-4H3,(H,23,27)(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114233
PNG
(2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-...)
Show SMILES CCCCn1c2nc(CO)n(CCC)c2c(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O
Show InChI InChI=1S/C22H28ClN5O5/c1-4-6-10-27-20-19(26(9-5-2)17(13-29)25-20)21(31)28(22(27)32)12-18(30)24-14-7-8-16(33-3)15(23)11-14/h7-8,11,29H,4-6,9-10,12-13H2,1-3H3,(H,24,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114286
PNG
((2-methoxyphenyl)methyl 3-pyrrolidin-1-ylsulfonylb...)
Show SMILES COc1ccccc1COC(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H21NO5S/c1-24-18-10-3-2-7-16(18)14-25-19(21)15-8-6-9-17(13-15)26(22,23)20-11-4-5-12-20/h2-3,6-10,13H,4-5,11-12,14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114274
PNG
(2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]-3...)
Show SMILES COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)NC(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H30N2O5/c1-15(25-22(29)17-8-10-18(11-9-17)24(2,3)4)21(28)26-20(23(30)31-5)14-16-6-12-19(27)13-7-16/h6-13,15,20,27H,14H2,1-5H3,(H,25,29)(H,26,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114222
PNG
(6-[[cyclohexyl(methyl)amino]methyl]-2-N-(2-ethoxyp...)
Show SMILES CCOc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1
Show InChI InChI=1S/C19H28N6O/c1-3-26-16-12-8-7-11-15(16)21-19-23-17(22-18(20)24-19)13-25(2)14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H3,20,21,22,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50386
PNG
(MLS000334119 | N-[4-(4-acetamidophenyl)-1,3-thiazo...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1csc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C24H22N4O5S/c1-14(29)25-17-4-2-15(3-5-17)19-13-34-24(26-19)27-23(31)16-10-22(30)28(12-16)18-6-7-20-21(11-18)33-9-8-32-20/h2-7,11,13,16H,8-10,12H2,1H3,(H,25,29)(H,26,27,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114216
PNG
(2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-...)
Show SMILES COC(=O)COc1nc(C)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C15H18N2O4/c1-9-12-7-21-15(2,3)5-10(12)11(6-16)14(17-9)20-8-13(18)19-4/h5,7-8H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114230
PNG
(2-(4-chlorophenyl)-5-[2-[3-chloro-5-(trifluorometh...)
Show SMILES FC(F)(F)c1cnc(Oc2ccccc2-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C20H10Cl2F3N3O2/c21-13-7-5-11(6-8-13)17-27-28-18(30-17)14-3-1-2-4-16(14)29-19-15(22)9-12(10-26-19)20(23,24)25/h1-10H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114255
PNG
(2-(4-fluorophenyl)-6-phenyl-4-(2-thienyl)pyridine ...)
Show SMILES Fc1ccc(cc1)-c1cc(cc(n1)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C21H14FNS/c22-18-10-8-16(9-11-18)20-14-17(21-7-4-12-24-21)13-19(23-20)15-5-2-1-3-6-15/h1-14H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114282
PNG
(MLS001367907 | N,5-bis(3,4-dimethoxyphenyl)-1,2-ox...)
Show SMILES COc1ccc(NC(=O)c2cc(on2)-c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C20H20N2O6/c1-24-15-7-5-12(9-18(15)26-3)17-11-14(22-28-17)20(23)21-13-6-8-16(25-2)19(10-13)27-4/h5-11H,1-4H3,(H,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114254
PNG
(MLS000737890 | N-(1-naphthalenyl)benzamide | N-(1-...)
Show SMILES O=C(Nc1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO/c19-17(14-8-2-1-3-9-14)18-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114256
PNG
(4-amino-N-cyclohexyl-2-(methylthio)-5-thiazolecarb...)
Show SMILES CSc1nc(N)c(s1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C11H17N3OS2/c1-16-11-14-9(12)8(17-11)10(15)13-7-5-3-2-4-6-7/h7H,2-6,12H2,1H3,(H,13,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114240
PNG
(3-(3,5-dichloroanilino)-1-(2-thienyl)propan-1-one ...)
Show SMILES Clc1cc(Cl)cc(NCCC(=O)c2cccs2)c1
Show InChI InChI=1S/C13H11Cl2NOS/c14-9-6-10(15)8-11(7-9)16-4-3-12(17)13-2-1-5-18-13/h1-2,5-8,16H,3-4H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114280
PNG
(1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)ur...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C17H18N2O3/c1-11(2)13-5-3-4-6-14(13)19-17(20)18-12-7-8-15-16(9-12)22-10-21-15/h3-9,11H,10H2,1-2H3,(H2,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114257
PNG
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)
Show SMILES Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
Show InChI InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM50629
PNG
((5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-3-(4-hy...)
Show SMILES Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C16H11NO3S2/c18-12-8-6-11(7-9-12)17-15(19)14(22-16(17)21)5-1-3-13-4-2-10-20-13/h1-10,18H/b3-1+,14-5-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114235
PNG
(MLS000571556 | N-(4-fluorobenzyl)-4,5,6,7-tetrahyd...)
Show SMILES Fc1ccc(CNC(=O)c2cc3CCCCc3s2)cc1
Show InChI InChI=1S/C16H16FNOS/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h5-9H,1-4,10H2,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114220
PNG
((2Z)-2-cyano-2-(1-methyl-4-pyrimidinylidene)acetic...)
Show SMILES CCOC(=O)C(\C#N)=C1\C=CN(C)C=N1 |c:9,13|
Show InChI InChI=1S/C10H11N3O2/c1-3-15-10(14)8(6-11)9-4-5-13(2)7-12-9/h4-5,7H,3H2,1-2H3/b9-8-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114251
PNG
(2-(4-chlorophenyl)sulfonylquinoxaline | 2-[(4-chlo...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C14H9ClN2O2S/c15-10-5-7-11(8-6-10)20(18,19)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM114262
PNG
((-)-Ditryptophenaline | MLS001050056 | SMR00046960...)
Show SMILES O=C(COC(=O)c1ccccc1C(=O)OCC(=O)NCCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C32H30N4O6/c37-29(33-15-13-21-17-35-27-11-5-3-7-23(21)27)19-41-31(39)25-9-1-2-10-26(25)32(40)42-20-30(38)34-16-14-22-18-36-28-12-6-4-8-24(22)28/h1-12,17-18,35-36H,13-16,19-20H2,(H,33,37)(H,34,38)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))		BDBM72687
PNG
(2-(2,4-dinitrophenyl)sulfanylpyrimidine | 2-[(2,4-...)
Show SMILES [O-][N+](=O)c1ccc(Sc2ncccn2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H6N4O4S/c15-13(16)7-2-3-9(8(6-7)14(17)18)19-10-11-4-1-5-12-10/h1-6H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%