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Compile Data Set for Download or QSAR

Found 2048 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase'   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357238
PNG
(CHEMBL1916488)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCC(CC1)C(O)=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O5/c1-3-11-34-12-10-29-18-13-17(16-4-5-19(33-2)24-14-16)26-27-20(18)21(25-23(29)32)28-8-6-15(7-9-28)22(30)31/h4-5,13-15H,3,6-12H2,1-2H3,(H,30,31)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316638
PNG
(1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl...)
Show SMILES CCOCCn1nc(CC)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(30-18)12-13-32-5-2)22(27-19-14-16(3)6-11-25-19)29-23(28-20)26-15-17-7-9-24-10-8-17/h6,11,14,17,24H,4-5,7-10,12-13,15H2,1-3H3,(H2,25,26,27,28,29)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316640
PNG
(5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CN)CC1
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(29-18)12-13-32-5-2)22(26-19-14-16(3)6-9-25-19)28-23(27-20)30-10-7-17(15-24)8-11-30/h6,9,14,17H,4-5,7-8,10-13,15,24H2,1-3H3,(H,25,26,27,28)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357243
PNG
(CHEMBL1916483)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCCC(C2)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-10-35-11-9-30-19-13-18(16-7-8-20(34-2)25-14-16)28-29-21(19)22(27-24(30)33)26-17-6-4-5-15(12-17)23(31)32/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,31,32)(H,26,27,33)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357241
PNG
(CHEMBL1916485)
Show SMILES CCCOCCn1c2cc(nnc2c(N[C@@H]2CCCC[C@@H]2C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(15-8-9-20(34-2)25-14-15)28-29-21(19)22(27-24(30)33)26-17-7-5-4-6-16(17)23(31)32/h8-9,13-14,16-17H,3-7,10-12H2,1-2H3,(H,31,32)(H,26,27,33)/t16-,17+/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357240
PNG
(CHEMBL1916486)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCC(CC2)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(16-6-9-20(34-2)25-14-16)28-29-21(19)22(27-24(30)33)26-17-7-4-15(5-8-17)23(31)32/h6,9,13-15,17H,3-5,7-8,10-12H2,1-2H3,(H,31,32)(H,26,27,33)
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM150179
PNG
(US8980904, 4)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccn2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1/C24H24ClN5O3/c1-32-21-6-5-15(8-20(21)25)14-33-23-19(22(31)27-10-18-4-2-3-7-26-18)11-28-24(29-23)30-12-16-9-17(16)13-30/h2-8,11,16-17H,9-10,12-14H2,1H3,(H,27,31)
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US Patent
n/an/a 0.0280n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50123474
PNG
(1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2...)
Show SMILES CCn1ncc2c1ncc1c(nnc(NCc3ccc(OC)c(Cl)c3)c21)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H26ClN7O3/c1-3-32-22-17(13-28-32)20-16(12-27-22)23(31-8-6-15(7-9-31)24(33)34)30-29-21(20)26-11-14-4-5-19(35-2)18(25)10-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,26,29)(H,33,34)
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n/an/a 0.0300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from human platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357250
PNG
(CHEMBL1916476)
Show SMILES COc1ccc(cn1)-c1cc2n(CCOCC(F)(F)F)c(=O)nc(NC3CCC(O)CC3)c2nn1
Show InChI InChI=1S/C22H25F3N6O4/c1-34-18-7-2-13(11-26-18)16-10-17-19(30-29-16)20(27-14-3-5-15(32)6-4-14)28-21(33)31(17)8-9-35-12-22(23,24)25/h2,7,10-11,14-15,32H,3-6,8-9,12H2,1H3,(H,27,28,33)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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 0.0400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316647
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C23H31N7O3/c1-4-17-19-20(30(28-17)12-13-33-5-2)21(25-18-14-15(3)6-9-24-18)27-23(26-19)29-10-7-16(8-11-29)22(31)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H,31,32)(H,24,25,26,27)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357239
PNG
(CHEMBL1916487)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCC(CC(O)=O)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-14-18(17-4-5-20(34-2)25-15-17)27-28-22(19)23(26-24(30)33)29-8-6-16(7-9-29)13-21(31)32/h4-5,14-16H,3,6-13H2,1-2H3,(H,31,32)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50141580
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-8-ethyl-3-hydro...)
Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c(CO)cnc12)C#N
Show InChI InChI=1S/C21H20ClN3O2/c1-3-15-6-14(9-23)7-17-20(15)25-11-16(12-26)21(17)24-10-13-4-5-19(27-2)18(22)8-13/h4-8,11,26H,3,10,12H2,1-2H3,(H,24,25)
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n/an/a 0.0500n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from human platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357254
PNG
(CHEMBL1916303)
Show SMILES CCCOCCn1c2cc(nnc2c(NCCC(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N6O5/c1-3-9-31-10-8-26-15-11-14(13-4-5-16(30-2)22-12-13)24-25-18(15)19(23-20(26)29)21-7-6-17(27)28/h4-5,11-12H,3,6-10H2,1-2H3,(H,27,28)(H,21,23,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357244
PNG
(CHEMBL1916482)
Show SMILES CCCOCCn1c2cc(nnc2c(NC(C)(C)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N6O5/c1-5-9-32-10-8-27-15-11-14(13-6-7-16(31-4)22-12-13)25-26-17(15)18(23-20(27)30)24-21(2,3)19(28)29/h6-7,11-12H,5,8-10H2,1-4H3,(H,28,29)(H,23,24,30)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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 0.0500n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316646
PNG
(1-(1-(2-ethoxyethyl)-3-methyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C22H29N7O3/c1-4-32-12-11-29-19-18(15(3)27-29)25-22(28-9-6-16(7-10-28)21(30)31)26-20(19)24-17-13-14(2)5-8-23-17/h5,8,13,16H,4,6-7,9-12H2,1-3H3,(H,30,31)(H,23,24,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357263
PNG
(CHEMBL1916293)
Show SMILES CCCOCCn1c2cc(ncc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-20(16-4-9-22(32-2)26-14-16)25-15-19(21)23(28-24(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,27,28,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50035609
PNG
(CHEMBL3338455)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)N2CCc3ccccc3C2)cc1Cl
Show InChI InChI=1S/C31H31ClN4O5/c1-38-25-10-9-19(13-24(25)32)16-33-30-23(28(37)22-14-26(39-2)29(41-4)27(15-22)40-3)17-34-31(35-30)36-12-11-20-7-5-6-8-21(20)18-36/h5-10,13-15,17H,11-12,16,18H2,1-4H3,(H,33,34,35)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide method


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357237
PNG
(CHEMBL1916489)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCCC(C1)C(O)=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O5/c1-3-10-34-11-9-29-18-12-17(15-6-7-19(33-2)24-13-15)26-27-20(18)21(25-23(29)32)28-8-4-5-16(14-28)22(30)31/h6-7,12-13,16H,3-5,8-11,14H2,1-2H3,(H,30,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316642
PNG
((1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CO)CC1
Show InChI InChI=1S/C23H33N7O2/c1-4-18-20-21(30(28-18)12-13-32-5-2)22(25-19-14-16(3)6-9-24-19)27-23(26-20)29-10-7-17(15-31)8-11-29/h6,9,14,17,31H,4-5,7-8,10-13,15H2,1-3H3,(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316651
PNG
(1-(2-ethoxyethyl)-3-ethyl-N-phenyl-5-(piperazin-1-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3ccccc3)c12)N1CCNCC1
Show InChI InChI=1S/C21H29N7O/c1-3-17-18-19(28(26-17)14-15-29-4-2)20(23-16-8-6-5-7-9-16)25-21(24-18)27-12-10-22-11-13-27/h5-9,22H,3-4,10-15H2,1-2H3,(H,23,24,25)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316639
PNG
(5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CN)CC1
Show InChI InChI=1S/C22H32N8O/c1-4-31-12-11-30-20-19(16(3)28-30)26-22(29-9-6-17(14-23)7-10-29)27-21(20)25-18-13-15(2)5-8-24-18/h5,8,13,17H,4,6-7,9-12,14,23H2,1-3H3,(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318137
PNG
((R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidi...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCN[C@H](C)C1
Show InChI InChI=1S/C20H26F3N9O/c1-3-14-16-17(32(30-14)8-9-33-11-20(21,22)23)18(27-15-4-5-24-12-26-15)29-19(28-16)31-7-6-25-13(2)10-31/h4-5,12-13,25H,3,6-11H2,1-2H3,(H,24,26,27,28,29)/t13-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM150181
PNG
(US8980904, 6)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccc(F)cc2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1/C25H24ClFN4O3/c1-33-22-7-4-16(8-21(22)26)14-34-24-20(23(32)28-10-15-2-5-19(27)6-3-15)11-29-25(30-24)31-12-17-9-18(17)13-31/h2-8,11,17-18H,9-10,12-14H2,1H3,(H,28,32)
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US Patent
n/an/a 0.0750n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357264
PNG
(CHEMBL1916291)
Show SMILES CCCOCCn1c2cc(ncc2c(NCCN2CCOCC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-20(18-4-5-22(32-2)27-16-18)26-17-19(21)23(28-24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316645
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C23H32N8O2/c1-4-17-19-20(31(29-17)11-12-33-5-2)22(26-18-13-15(3)8-9-25-18)28-23(27-19)30-10-6-7-16(14-30)21(24)32/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H2,24,32)(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316644
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C23H32N8O2/c1-4-17-19-20(31(29-17)12-13-33-5-2)22(26-18-14-15(3)6-9-25-18)28-23(27-19)30-10-7-16(8-11-30)21(24)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H2,24,32)(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357258
PNG
(CHEMBL1916299)
Show SMILES CCCOCCn1c2cc(nnc2c(NCCN2CCOCC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-19-15-18(17-4-5-20(32-2)25-16-17)27-28-21(19)22(26-23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,26,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318144
PNG
(3-ethyl-N-(4-fluorophenyl)-5-(piperazin-1-yl)-1-(2...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccc(F)cc3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C21H25F4N7O/c1-2-16-17-18(32(30-16)11-12-33-13-21(23,24)25)19(27-15-5-3-14(22)4-6-15)29-20(28-17)31-9-7-26-8-10-31/h3-6,26H,2,7-13H2,1H3,(H,27,28,29)
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n/an/a 0.0900n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316666
PNG
(1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpi...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C24H36N8O/c1-6-19-21-22(32(29-19)14-15-33-7-2)23(26-20-16-17(3)8-11-25-20)28-24(27-21)31(5)18-9-12-30(4)13-10-18/h8,11,16,18H,6-7,9-10,12-15H2,1-5H3,(H,25,26,27,28)
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n/an/a 0.0900n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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 0.0900n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357262
PNG
(CHEMBL1916295)
Show SMILES CCCOCCn1c2cc(cnc2c(NC2CCC(O)CC2)nc1=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)23(28-24(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,27,28,31)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357235
PNG
(CHEMBL1916290)
Show SMILES CCCOCCn1c2cc(ncc2c(NCCOC(C)C)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N5O4/c1-5-10-31-12-9-28-20-13-19(17-6-7-21(30-4)26-14-17)25-15-18(20)22(27-23(28)29)24-8-11-32-16(2)3/h6-7,13-16H,5,8-12H2,1-4H3,(H,24,27,29)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM150178
PNG
(US8980904, 3)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ncccn2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1/C23H23ClN6O3/c1-32-19-4-3-14(7-18(19)24)13-33-22-17(21(31)27-10-20-25-5-2-6-26-20)9-28-23(29-22)30-11-15-8-16(15)12-30/h2-7,9,15-16H,8,10-13H2,1H3,(H,27,31)
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US Patent
n/an/a 0.100n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50050597
PNG
(1-Ethyl-3-methyl-6-(5-nitro-2-propoxy-phenyl)-1,5-...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H19N5O4/c1-4-8-26-13-7-6-11(22(24)25)9-12(13)15-18-16-14(17(23)19-15)10(3)20-21(16)5-2/h6-7,9H,4-5,8H2,1-3H3,(H,18,19,23)
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n/an/a 0.100n/an/an/an/an/an/a



Laboratories Glaxo Wellcome Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from human


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50123477
PNG
(CHEMBL344018 | N*9*-(3-Chloro-4-methoxy-benzyl)-3-...)
Show SMILES CCn1ncc2c1ncc1c(NCc3ccncc3)nnc(NCc3ccc(OC)c(Cl)c3)c21
Show InChI InChI=1S/C24H23ClN8O/c1-3-33-24-18(14-30-33)21-17(13-29-24)22(27-11-15-6-8-26-9-7-15)31-32-23(21)28-12-16-4-5-20(34-2)19(25)10-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a 0.100n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from human platelets


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357236
PNG
(CHEMBL1916490)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCN(CC(O)=O)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H29N7O5/c1-3-11-35-12-10-30-18-13-17(16-4-5-19(34-2)24-14-16)26-27-21(18)22(25-23(30)33)29-8-6-28(7-9-29)15-20(31)32/h4-5,13-14H,3,6-12,15H2,1-2H3,(H,31,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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 0.110n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Citation and Details
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM150190
PNG
(US8980904, 15)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccc2)N2CCC3(CC3)C2)cc1Cl
Show InChI InChI=1S/C26H27ClN4O3/c1-33-22-8-7-19(13-21(22)27)16-34-24-20(23(32)28-14-18-5-3-2-4-6-18)15-29-25(30-24)31-12-11-26(17-31)9-10-26/h2-8,13,15H,9-12,14,16-17H2,1H3,(H,28,32)
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US Patent
n/an/a 0.119n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)

More data for this
Ligand-Target Pair
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