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Compile Data Set for Download or QSAR

Found 85 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 6A'   
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 6A


(Homo sapiens)
BDBM50300972
PNG
(7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(py...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCc2cnccn2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-20-11-18(16-4-5-21(32-2)27-12-16)26-15-19(20)29-22(23(30)31)28-14-17-13-24-6-7-25-17/h4-7,11-13,15H,3,8-10,14H2,1-2H3,(H,28,29)
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300964
PNG
(CHEMBL584270 | rac-7-(6-methoxypyridin-3-yl)-1-(2-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC2CCCO2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27)
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n/an/a 8.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM235735
PNG
(US9359371, 3)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)NCc2ccccc2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1/C25H26ClN5O2/c1-33-22-8-7-17(9-21(22)26)12-27-23-20(24(32)28-11-16-5-3-2-4-6-16)13-29-25(30-23)31-14-18-10-19(18)15-31/h2-9,13,18-19H,10-12,14-15H2,1H3,(H,28,32)(H,27,29,30)
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US Patent
n/an/a 8.89n/an/an/an/an/an/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25 C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300962
PNG
(3-(2-ethoxyethylamino)-7-(6-methoxypyridin-3-yl)-1...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCOCC)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H29N5O4/c1-4-10-31-12-9-27-19-13-17(16-6-7-20(29-3)25-14-16)24-15-18(19)26-21(22(27)28)23-8-11-30-5-2/h6-7,13-15H,4-5,8-12H2,1-3H3,(H,23,26)
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n/an/a 9.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
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 9.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
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 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300970
PNG
(7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(py...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCc2ccccn2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H26N6O3/c1-3-11-33-12-10-30-21-13-19(17-7-8-22(32-2)27-14-17)26-16-20(21)29-23(24(30)31)28-15-18-6-4-5-9-25-18/h4-9,13-14,16H,3,10-12,15H2,1-2H3,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300987
PNG
(3-(3-hydroxypropylamino)-7-(6-methoxypyridin-3-yl)...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-3-10-30-11-8-26-18-12-16(15-5-6-19(29-2)24-13-15)23-14-17(18)25-20(21(26)28)22-7-4-9-27/h5-6,12-14,27H,3-4,7-11H2,1-2H3,(H,22,25)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300989
PNG
((S)-3-(2-hydroxypropylamino)-7-(6-methoxypyridin-3...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NC[C@H](C)O)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-18-10-16(15-5-6-19(29-3)23-12-15)22-13-17(18)25-20(21(26)28)24-11-14(2)27/h5-6,10,12-14,27H,4,7-9,11H2,1-3H3,(H,24,25)/t14-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300991
PNG
((R)-3-(2-hydroxypropylamino)-7-(6-methoxypyridin-3...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NC[C@@H](C)O)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-18-10-16(15-5-6-19(29-3)23-12-15)22-13-17(18)25-20(21(26)28)24-11-14(2)27/h5-6,10,12-14,27H,4,7-9,11H2,1-3H3,(H,24,25)/t14-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300952
PNG
(3-(trans-4-hydroxycyclohexylamino)-7-(6-methoxypyr...)
Show SMILES CCCOCCn1c2cc(cnc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-20-13-17(16-4-9-21(32-2)25-14-16)15-26-22(20)28-23(24(29)31)27-18-5-7-19(30)8-6-18/h4,9,13-15,18-19,30H,3,5-8,10-12H2,1-2H3,(H,26,27,28)/t18-,19-
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300983
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-(4-methylpiperazin-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCN(C)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C25H33N7O4/c1-4-12-36-13-11-32-21-14-19(18-5-6-22(35-3)27-15-18)26-16-20(21)29-24(25(32)34)28-17-23(33)31-9-7-30(2)8-10-31/h5-6,14-16H,4,7-13,17H2,1-3H3,(H,28,29)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300976
PNG
(2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyeth...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)NC)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N6O4/c1-4-8-31-9-7-27-17-10-15(14-5-6-19(30-3)24-11-14)23-12-16(17)26-20(21(27)29)25-13-18(28)22-2/h5-6,10-12H,4,7-9,13H2,1-3H3,(H,22,28)(H,25,26)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300980
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholino-2-oxoeth...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-9-34-12-8-30-20-13-18(17-4-5-21(33-2)26-14-17)25-15-19(20)28-23(24(30)32)27-16-22(31)29-6-10-35-11-7-29/h4-5,13-15H,3,6-12,16H2,1-2H3,(H,27,28)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300950
PNG
((S)-3-(1-hydroxypropan-2-ylamino)-7-(6-methoxypyri...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N[C@@H](C)CO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-18-10-16(15-5-6-19(29-3)23-11-15)22-12-17(18)25-20(21(26)28)24-14(2)13-27/h5-6,10-12,14,27H,4,7-9,13H2,1-3H3,(H,24,25)/t14-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300948
PNG
((R)-3-(1-hydroxypropan-2-ylamino)-7-(6-methoxypyri...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N[C@H](C)CO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-18-10-16(15-5-6-19(29-3)23-11-15)22-12-17(18)25-20(21(26)28)24-14(2)13-27/h5-6,10-12,14,27H,4,7-9,13H2,1-3H3,(H,24,25)/t14-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300951
PNG
((R)-3-(1-hydroxybutan-2-ylamino)-7-(6-methoxypyrid...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N[C@H](CC)CO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H29N5O4/c1-4-9-31-10-8-27-19-11-17(15-6-7-20(30-3)24-12-15)23-13-18(19)26-21(22(27)29)25-16(5-2)14-28/h6-7,11-13,16,28H,4-5,8-10,14H2,1-3H3,(H,25,26)/t16-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300971
PNG
(7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(py...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCc2cnccn2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-19-11-17(16-4-5-20(32-2)26-12-16)13-27-21(19)29-22(23(30)31)28-15-18-14-24-6-7-25-18/h4-7,11-14H,3,8-10,15H2,1-2H3,(H,27,28,29)
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n/an/a 24n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300978
PNG
(3-(2-(4-hydroxypiperidin-1-yl)-2-oxoethylamino)-7-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCC(O)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C25H32N6O5/c1-3-11-36-12-10-31-21-13-19(17-4-5-22(35-2)27-14-17)26-15-20(21)29-24(25(31)34)28-16-23(33)30-8-6-18(32)7-9-30/h4-5,13-15,18,32H,3,6-12,16H2,1-2H3,(H,28,29)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300960
PNG
(3-(2-hydroxyethylamino)-7-(6-methoxypyridin-3-yl)-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H25N5O4/c1-3-9-29-10-7-25-17-11-15(14-4-5-18(28-2)23-12-14)22-13-16(17)24-19(20(25)27)21-6-8-26/h4-5,11-13,26H,3,6-10H2,1-2H3,(H,21,24)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300963
PNG
(7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-((t...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCC2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N5O4/c1-3-9-32-12-8-29-20-13-19(18-4-5-21(31-2)25-15-18)16-27-22(20)28-23(24(29)30)26-14-17-6-10-33-11-7-17/h4-5,13,15-17H,3,6-12,14H2,1-2H3,(H,26,27,28)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300969
PNG
(7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(py...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCc2ccccn2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H26N6O3/c1-3-11-33-12-10-30-20-13-18(17-7-8-21(32-2)26-14-17)15-27-22(20)29-23(24(30)31)28-16-19-6-4-5-9-25-19/h4-9,13-15H,3,10-12,16H2,1-2H3,(H,27,28,29)
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n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300977
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-oxo-2-(pyrrolidin-1...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O4/c1-3-11-34-12-10-30-20-13-18(17-6-7-21(33-2)26-14-17)25-15-19(20)28-23(24(30)32)27-16-22(31)29-8-4-5-9-29/h6-7,13-15H,3-5,8-12,16H2,1-2H3,(H,27,28)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300966
PNG
(2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyeth...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(O)=O)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H23N5O5/c1-3-7-30-8-6-25-16-9-14(13-4-5-17(29-2)22-10-13)21-11-15(16)24-19(20(25)28)23-12-18(26)27/h4-5,9-11H,3,6-8,12H2,1-2H3,(H,23,24)(H,26,27)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300990
PNG
((R)-3-(2-hydroxypropylamino)-7-(6-methoxypyridin-3...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NC[C@@H](C)O)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-17-10-16(15-5-6-18(29-3)22-12-15)13-24-19(17)25-20(21(26)28)23-11-14(2)27/h5-6,10,12-14,27H,4,7-9,11H2,1-3H3,(H,23,24,25)/t14-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300988
PNG
((S)-3-(2-hydroxypropylamino)-7-(6-methoxypyridin-3...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NC[C@H](C)O)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-17-10-16(15-5-6-18(29-3)22-12-15)13-24-19(17)25-20(21(26)28)23-11-14(2)27/h5-6,10,12-14,27H,4,7-9,11H2,1-3H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300985
PNG
(3-(2-(4-ethylpiperazin-1-yl)-2-oxoethylamino)-7-(6...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCN(CC)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C26H35N7O4/c1-4-13-37-14-12-33-22-15-20(19-6-7-23(36-3)28-16-19)27-17-21(22)30-25(26(33)35)29-18-24(34)32-10-8-31(5-2)9-11-32/h6-7,15-17H,4-5,8-14,18H2,1-3H3,(H,29,30)
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n/an/a 56n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300961
PNG
(3-(2-ethoxyethylamino)-7-(6-methoxypyridin-3-yl)-1...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCCOCC)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H29N5O4/c1-4-10-31-12-9-27-18-13-17(16-6-7-19(29-3)24-14-16)15-25-20(18)26-21(22(27)28)23-8-11-30-5-2/h6-7,13-15H,4-5,8-12H2,1-3H3,(H,23,25,26)
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n/an/a 57n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM235755
PNG
(US9359371, 38)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CCC3(CC3)C2)cc1Cl
Show InChI InChI=1/C25H32ClN5O3/c1-34-21-7-2-16(12-20(21)26)13-27-22-19(23(33)29-17-3-5-18(32)6-4-17)14-28-24(30-22)31-11-10-25(15-31)8-9-25/h2,7,12,14,17-18,32H,3-6,8-11,13,15H2,1H3,(H,29,33)(H,27,28,30)/t17-,18-
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US Patent
n/an/a 58n/an/an/an/an/an/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25 C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM235742
PNG
(US9359371, 11)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1/C24H30ClN5O3/c1-33-21-7-2-14(8-20(21)25)10-26-22-19(23(32)28-17-3-5-18(31)6-4-17)11-27-24(29-22)30-12-15-9-16(15)13-30/h2,7-8,11,15-18,31H,3-6,9-10,12-13H2,1H3,(H,28,32)(H,26,27,29)/t15?,16?,17-,18-
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n/an/a 61n/an/an/an/an/an/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25 C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50296257
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-20-15-19(18-4-5-21(32-2)26-16-18)17-27-22(20)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,25,27,28)
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n/an/a 62n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300947
PNG
((R)-3-(1-hydroxypropan-2-ylamino)-7-(6-methoxypyri...)
Show SMILES CCCOCCn1c2cc(cnc2nc(N[C@H](C)CO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-17-10-16(15-5-6-18(29-3)22-11-15)12-23-19(17)25-20(21(26)28)24-14(2)13-27/h5-6,10-12,14,27H,4,7-9,13H2,1-3H3,(H,23,24,25)/t14-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300949
PNG
((S)-3-(1-hydroxypropan-2-ylamino)-7-(6-methoxypyri...)
Show SMILES CCCOCCn1c2cc(cnc2nc(N[C@@H](C)CO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-4-8-30-9-7-26-17-10-16(15-5-6-18(29-3)22-11-15)12-23-19(17)25-20(21(26)28)24-14(2)13-27/h5-6,10-12,14,27H,4,7-9,13H2,1-3H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300982
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-(4-methylpiperazin-...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCC(=O)N2CCN(C)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C25H33N7O4/c1-4-12-36-13-11-32-20-14-19(18-5-6-21(35-3)26-15-18)16-27-23(20)29-24(25(32)34)28-17-22(33)31-9-7-30(2)8-10-31/h5-6,14-16H,4,7-13,17H2,1-3H3,(H,27,28,29)
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n/an/a 80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300974
PNG
(2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyeth...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(N)=O)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N6O4/c1-3-7-30-8-6-26-16-9-14(13-4-5-18(29-2)23-10-13)22-11-15(16)25-19(20(26)28)24-12-17(21)27/h4-5,9-11H,3,6-8,12H2,1-2H3,(H2,21,27)(H,24,25)
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n/an/a 87n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300968
PNG
(2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyeth...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N(C)C)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H28N6O4/c1-5-9-32-10-8-28-18-11-16(15-6-7-19(31-4)24-12-15)23-13-17(18)26-21(22(28)30)25-14-20(29)27(2)3/h6-7,11-13H,5,8-10,14H2,1-4H3,(H,25,26)
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n/an/a 87n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300984
PNG
(3-(2-(4-ethylpiperazin-1-yl)-2-oxoethylamino)-7-(6...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCC(=O)N2CCN(CC)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C26H35N7O4/c1-4-13-37-14-12-33-21-15-20(19-6-7-22(36-3)27-16-19)17-28-24(21)30-25(26(33)35)29-18-23(34)32-10-8-31(5-2)9-11-32/h6-7,15-17H,4-5,8-14,18H2,1-3H3,(H,28,29,30)
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n/an/a 99n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300981
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-oxo-2-(piperazin-1-...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCC(=O)N2CCNCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N7O4/c1-3-11-35-12-10-31-20-13-18(17-4-5-21(34-2)27-14-17)26-15-19(20)29-23(24(31)33)28-16-22(32)30-8-6-25-7-9-30/h4-5,13-15,25H,3,6-12,16H2,1-2H3,(H,28,29)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300959
PNG
(3-(2-hydroxyethylamino)-7-(6-methoxypyridin-3-yl)-...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H25N5O4/c1-3-9-29-10-7-25-16-11-15(14-4-5-17(28-2)22-12-14)13-23-18(16)24-19(20(25)27)21-6-8-26/h4-5,11-13,26H,3,6-10H2,1-2H3,(H,21,23,24)
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n/an/a 114n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300979
PNG
(7-(6-methoxypyridin-3-yl)-3-(2-morpholino-2-oxoeth...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCC(=O)N2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-9-34-12-8-30-19-13-18(17-4-5-20(33-2)25-14-17)15-26-22(19)28-23(24(30)32)27-16-21(31)29-6-10-35-11-7-29/h4-5,13-15H,3,6-12,16H2,1-2H3,(H,26,27,28)
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n/an/a 114n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300975
PNG
(2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyeth...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCC(=O)NC)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N6O4/c1-4-8-31-9-7-27-16-10-15(14-5-6-18(30-3)23-11-14)12-24-19(16)26-20(21(27)29)25-13-17(28)22-2/h5-6,10-12H,4,7-9,13H2,1-3H3,(H,22,28)(H,24,25,26)
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n/an/a 115n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300986
PNG
(3-(3-hydroxypropylamino)-7-(6-methoxypyridin-3-yl)...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N5O4/c1-3-10-30-11-8-26-17-12-16(15-5-6-18(29-2)23-13-15)14-24-19(17)25-20(21(26)28)22-7-4-9-27/h5-6,12-14,27H,3-4,7-11H2,1-2H3,(H,22,24,25)
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n/an/a 124n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
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 140n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304788
PNG
(CHEMBL594160 | methyl 4-(3-chloro-4-methoxybenzyla...)
Show SMILES COC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C22H25ClN4O5/c1-27(22(29)32-4)17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,7-8,11H2,1-4H3,(H,24,25,26)
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n/an/a 140n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300955
PNG
(3-(2-(dimethylamino)ethylamino)-7-(6-methoxypyridi...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCN(C)C)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H30N6O3/c1-5-11-31-12-10-28-19-13-17(16-6-7-20(30-4)25-14-16)24-15-18(19)26-21(22(28)29)23-8-9-27(2)3/h6-7,13-15H,5,8-12H2,1-4H3,(H,23,26)
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n/an/a 261n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300958
PNG
(3-(2-(2-hydroxyethylamino)ethylamino)-7-(6-methoxy...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H30N6O4/c1-3-11-32-12-9-28-19-13-17(16-4-5-20(31-2)26-14-16)25-15-18(19)27-21(22(28)30)24-7-6-23-8-10-29/h4-5,13-15,23,29H,3,6-12H2,1-2H3,(H,24,27)
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n/an/a 272n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM235762
PNG
(US9359371, 46)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)NCCN2CCN(C)CC2)N2CCC3(CC3)C2)cc1Cl
Show InChI InChI=1S/C26H36ClN7O2/c1-32-11-13-33(14-12-32)10-8-28-24(35)20-17-30-25(34-9-7-26(18-34)5-6-26)31-23(20)29-16-19-3-4-22(36-2)21(27)15-19/h3-4,15,17H,5-14,16,18H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a 310n/an/an/an/an/an/a



XUANZHU PHARMA CO., LTD.

US Patent


Assay Description
Method: The test compound or solvent was incubated at 25 C. for 15 min with enzyme solution (0.2 μg/mL) in Tris-HCl buffer of pH 7.5. 100 μ...


US Patent US9359371 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304789
PNG
(CHEMBL604271 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES CCC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC
Show InChI InChI=1S/C23H27ClN4O4/c1-5-20(30)28(2)18-11-16-21(15(8-9-29)22(18)32-4)26-13-27-23(16)25-12-14-6-7-19(31-3)17(24)10-14/h6-7,10-11,13,29H,5,8-9,12H2,1-4H3,(H,25,26,27)
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n/an/a 320n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50304792
PNG
(CHEMBL595104 | N-(4-(3-chloro-4-methoxybenzylamino...)
Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(cc23)N(C)C(=O)C2CC2)cc1Cl
Show InChI InChI=1S/C24H27ClN4O4/c1-29(24(31)15-5-6-15)19-11-17-21(16(8-9-30)22(19)33-3)27-13-28-23(17)26-12-14-4-7-20(32-2)18(25)10-14/h4,7,10-11,13,15,30H,5-6,8-9,12H2,1-3H3,(H,26,27,28)
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n/an/a 340n/an/an/an/an/an/a



Chong Kun Dang Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine retina PDE6


Bioorg Med Chem Lett 20: 383-6 (2010)

More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300967
PNG
(2-(7-(6-methoxypyridin-3-yl)-2-oxo-1-(2-propoxyeth...)
Show SMILES CCCOCCn1c2cc(cnc2nc(NCC(=O)N(C)C)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H28N6O4/c1-5-9-32-10-8-28-17-11-16(15-6-7-18(31-4)23-12-15)13-24-20(17)26-21(22(28)30)25-14-19(29)27(2)3/h6-7,11-13H,5,8-10,14H2,1-4H3,(H,24,25,26)
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n/an/a 398n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)

More data for this
Ligand-Target Pair
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