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Compile Data Set for Download or QSAR

Found 19 hits of ki data for polymerid = 7465   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4 | US9598426, 4)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(C)c3)c2C1=O |t:2|
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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0.100n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent




US Patent US9598426 (2017)


Article DOI: 10.1021/jm030933g
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4 | US9598426, 4)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(C)c3)c2C1=O |t:2|
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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0.100 -13.9n/an/an/an/an/a7.530



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 | US9598426, 1)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O |t:2|
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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0.200 -13.4n/an/an/an/an/a7.530



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 | US9598426, 1)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O |t:2|
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




US Patent US9598426 (2017)


Article DOI: 10.1021/jm030933g
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168128
PNG
(US9073936, 3 | US9598426, 3)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(F)c3)c2C1=O |t:2|
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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0.300 -13.2n/an/an/an/an/a7.530



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 | US9598426, 3)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(F)c3)c2C1=O |t:2|
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




US Patent US9598426 (2017)


Article DOI: 10.1021/jm030933g
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4 | US9598426, 4)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(C)c3)c2C1=O |t:2|
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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0.400 -13.0n/an/an/an/an/a7.530



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 | US9598426, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1 |c:16|
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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0.5 -12.9n/an/an/an/an/a7.530



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 | US9598426, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1 |c:16|
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




US Patent US9598426 (2017)


Article DOI: 10.1021/jm030933g
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168126
PNG
(US9073936, 1 | US9598426, 1)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O |t:2|
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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1 -12.5n/an/an/an/an/a7.530



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 | US9598426, 3)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(F)c3)c2C1=O |t:2|
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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4 -11.6n/an/an/an/an/a7.530



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 | US9598426, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1 |c:16|
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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4 -11.6n/an/an/an/an/a7.530



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))
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


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
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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>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


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
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 |r|
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


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
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


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
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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>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


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
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


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
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


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
More data for this
Ligand-Target Pair