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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 1A (PDE1A)'   
Target
(Institution)
LigandTarget
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
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50129817
PNG
(CHEMBL3628685)
Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1
Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE1A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay


Bioorg Med Chem 23: 7332-9 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50241654
PNG
((+)-berbamine | Berbamine | CHEMBL504323)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of calmodulin-dependent phosphodiesterase


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259015
PNG
(5-(3-chlorobenzyl)-3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1cccc(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C15H15ClN4O/c1-8(2)12-13-14(20-19-12)15(21)18-11(17-13)7-9-4-3-5-10(16)6-9/h3-6,8H,7H2,1-2H3,(H,19,20)(H,17,18,21)
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n/an/a 54n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50067186
PNG
(CHEMBL3401745)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCCCCO
Show InChI InChI=1S/C23H33N5O5S/c1-4-10-18-20-21(28(3)27-18)23(30)26-22(25-20)17-15-16(11-12-19(17)33-5-2)34(31,32)24-13-8-6-7-9-14-29/h11-12,15,24,29H,4-10,13-14H2,1-3H3,(H,25,26,30)
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n/an/a 62n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PDE1A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50293304
PNG
(CHEMBL454806 | O-(4-Ethoxybutyl)berbamine | O-(4-e...)
Show SMILES CCOCCCCOc1ccc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
Show InChI InChI=1S/C43H52N2O7/c1-7-49-20-8-9-21-50-36-15-12-29-23-35-41-31(17-19-45(35)3)26-40(47-5)42(48-6)43(41)52-39-27-33-30(25-37(39)46-4)16-18-44(2)34(33)22-28-10-13-32(14-11-28)51-38(36)24-29/h10-15,24-27,34-35H,7-9,16-23H2,1-6H3/t34-,35+/m0/s1
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n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of calmodulin-dependent phosphodiesterase


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A


(Homo sapiens (Human))
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 600n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A1 expressed in baculovirus in sf9 cells by PDE Glo phosphodiesterase assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259058
PNG
(3-isopropyl-1-methyl-5-(2-(2-morpholinoethoxy)benz...)
Show SMILES CC(C)c1nn(C)c2c1nc(Cc1ccccc1OCCN1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C22H29N5O3/c1-15(2)19-20-21(26(3)25-19)22(28)24-18(23-20)14-16-6-4-5-7-17(16)30-13-10-27-8-11-29-12-9-27/h4-7,15H,8-14H2,1-3H3,(H,23,24,28)
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n/an/a 790n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259017
PNG
(5-(2-(benzyloxy)benzyl)-3-isopropyl-1H-pyrazolo[4,...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1ccccc1OCc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C22H22N4O2/c1-14(2)19-20-21(26-25-19)22(27)24-18(23-20)12-16-10-6-7-11-17(16)28-13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,23,24,27)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50300953
PNG
(3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxyp...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-19(16-4-9-22(32-2)26-14-16)25-15-20(21)28-23(24(29)31)27-17-5-7-18(30)8-6-17/h4,9,13-15,17-18,30H,3,5-8,10-12H2,1-2H3,(H,27,28)/t17-,18-
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n/an/a>2.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50308557
PNG
(3-(4-(2-hydroxyethyl)piperazin-1-yl)-1-(2-propoxye...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CCO)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-21-15-19(18-4-5-22(33-2)26-16-18)25-17-20(21)27-23(24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50357234
PNG
(CHEMBL1916475)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H30N6O4/c1-3-11-33-12-10-29-19-13-18(15-4-9-20(32-2)24-14-15)27-28-21(19)22(26-23(29)31)25-16-5-7-17(30)8-6-16/h4,9,13-14,16-17,30H,3,5-8,10-12H2,1-2H3,(H,25,26,31)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE1A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50296256
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259016
PNG
(3-isopropyl-5-(2-(trifluoromethoxy)benzyl)-1H-pyra...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1ccccc1OC(F)(F)F)[nH]c2=O
Show InChI InChI=1S/C16H15F3N4O2/c1-8(2)12-13-14(23-22-12)15(24)21-11(20-13)7-9-5-3-4-6-10(9)25-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,22,23)(H,20,21,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259057
PNG
(3-isopropyl-5-(2-(2-morpholinoethoxy)benzyl)-1H-py...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1ccccc1OCCN1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C21H27N5O3/c1-14(2)18-19-20(25-24-18)21(27)23-17(22-19)13-15-5-3-4-6-16(15)29-12-9-26-7-10-28-11-8-26/h3-6,14H,7-13H2,1-2H3,(H,24,25)(H,22,23,27)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50277665
PNG
(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)
Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
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n/an/a 6.10E+3n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259108
PNG
((-)3-Isopropyl-5-{[(trans)-2-(pyrimidin-2-ylamino)...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncccn1)[nH]c2=O
Show InChI InChI=1S/C19H25N7O/c1-11(2)15-16-17(26-25-15)18(27)24-14(23-16)10-12-6-3-4-7-13(12)22-19-20-8-5-9-21-19/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,25,26)(H,20,21,22)(H,23,24,27)/t12-,13+/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259105
PNG
(CHEMBL466680 | N-{(1R,2S)-2-[(3-isopropyl-7-oxo-6,...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)CC1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C22H33N5O3/c1-13(2)19-20-21(27-26-19)22(29)25-17(24-20)12-15-5-3-4-6-16(15)23-18(28)11-14-7-9-30-10-8-14/h13-16H,3-12H2,1-2H3,(H,23,28)(H,26,27)(H,24,25,29)/t15-,16+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259106
PNG
(1-{(1R,2S)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1H-py...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)NCCCN1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C23H37N7O3/c1-15(2)19-20-21(29-28-19)22(31)27-18(26-20)14-16-6-3-4-7-17(16)25-23(32)24-8-5-9-30-10-12-33-13-11-30/h15-17H,3-14H2,1-2H3,(H,28,29)(H2,24,25,32)(H,26,27,31)/t16-,17+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259059
PNG
(3-isopropyl-5-{[(1S,2R)-2-(2-morpholin-4-ylethoxy)...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1OCCN1CCOCC1)[nH]c2=O
Show InChI InChI=1S/C21H33N5O3/c1-14(2)18-19-20(25-24-18)21(27)23-17(22-19)13-15-5-3-4-6-16(15)29-12-9-26-7-10-28-11-8-26/h14-16H,3-13H2,1-2H3,(H,24,25)(H,22,23,27)/t15-,16+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259060
PNG
(CHEMBL466475 | N-[(1R,2S)2-(3-Isopropyl-7-oxo-6,7-...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1)[nH]c2=O
Show InChI InChI=1S/C21H32N6O2/c1-13(2)18-19-20(26-25-18)21(29)24-16(23-19)11-14-7-3-4-8-15(14)22-17(28)12-27-9-5-6-10-27/h13-15H,3-12H2,1-2H3,(H,22,28)(H,25,26)(H,23,24,29)/t14-,15+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50059035
PNG
(3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-pu...)
Show SMILES COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step method


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM162879
PNG
(US9056863, Example Ic1)
Show SMILES Cc1nc2ccncc2n2c(nnc12)-c1ccccc1Cl
Show InChI InChI=1S/C15H10ClN5/c1-9-14-19-20-15(10-4-2-3-5-11(10)16)21(14)13-8-17-7-6-12(13)18-9/h2-8H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of human PDE1A by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50026821
PNG
(CHEMBL3331521)
Show SMILES CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
Show InChI InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Inhibition of human PDE1A by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259107
PNG
(3-isopropyl-5-(((1S, 2R)-2-(6-methylpyridazin-3-yl...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ccc(C)nn1)[nH]c2=O
Show InChI InChI=1S/C20H27N7O/c1-11(2)17-18-19(27-26-17)20(28)23-16(22-18)10-13-6-4-5-7-14(13)21-15-9-8-12(3)24-25-15/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,21,25)(H,26,27)(H,22,23,28)/t13-,14+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(C)c3)c2C1=O
Show InChI InChI=1S/C26H27FN6O2/c1-15-12-19(10-11-20(15)27)28-22-21-23(32-14-26(3,4)29-25(32)31(5)24(21)35)30-33(22)13-17-6-8-18(9-7-17)16(2)34/h6-12,28H,13-14H2,1-5H3
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US Patent
0.100n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168126
PNG
(US9073936, 1)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O
Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168128
PNG
(US9073936, 3)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(F)c3)c2C1=O
Show InChI InChI=1S/C25H24F2N6O2/c1-14(34)16-7-5-15(6-8-16)12-33-21(28-17-9-10-18(26)19(27)11-17)20-22(30-33)32-13-25(2,3)29-24(32)31(4)23(20)35/h5-11,28H,12-13H2,1-4H3
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0.300n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(C)c3)c2C1=O
Show InChI InChI=1S/C26H27FN6O2/c1-15-12-19(10-11-20(15)27)28-22-21-23(32-14-26(3,4)29-25(32)31(5)24(21)35)30-33(22)13-17-6-8-18(9-7-17)16(2)34/h6-12,28H,13-14H2,1-5H3
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0.400n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168127
PNG
(US9073936, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1
Show InChI InChI=1/C25H27FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,15,27,33H,13-14H2,1-4H3
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0.5n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168126
PNG
(US9073936, 1)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O
Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3
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1n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168128
PNG
(US9073936, 3)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(F)c3)c2C1=O
Show InChI InChI=1S/C25H24F2N6O2/c1-14(34)16-7-5-15(6-8-16)12-33-21(28-17-9-10-18(26)19(27)11-17)20-22(30-33)32-13-25(2,3)29-24(32)31(4)23(20)35/h5-11,28H,12-13H2,1-4H3
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4n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168127
PNG
(US9073936, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1
Show InChI InChI=1/C25H27FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,15,27,33H,13-14H2,1-4H3
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4n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50362035
PNG
(CHEMBL1939914)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCOCC3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50362047
PNG
(CHEMBL1940057)
Show SMILES COCCOc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O3/c1-14-11-16(28-10-9-26-3)12-17-18(13-25-5-4-7-27-8-6-25)19-15(2)23-24-21(19)22-20(14)17/h11-12H,4-10,13H2,1-3H3,(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50362046
PNG
(CHEMBL1940056)
Show SMILES Cc1n[nH]c2nc3c(C)cc(O)cc3c(CN3CCCOCC3)c12
Show InChI InChI=1S/C18H22N4O2/c1-11-8-13(23)9-14-15(10-22-4-3-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9,23H,3-7,10H2,1-2H3,(H,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50362043
PNG
(CHEMBL1940053)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50362036
PNG
(CHEMBL1939915)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCOC(C)C3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-11-7-14(24-4)8-15-16(10-23-5-6-25-12(2)9-23)17-13(3)21-22-19(17)20-18(11)15/h7-8,12H,5-6,9-10H2,1-4H3,(H,20,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50362033
PNG
(CHEMBL1939912)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CC[C@@H](O)C3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-10-6-13(24-3)7-14-15(9-22-5-4-12(23)8-22)16-11(2)20-21-18(16)19-17(10)14/h6-7,12,23H,4-5,8-9H2,1-3H3,(H,19,20,21)/t12-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair