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Compile Data Set for Download or QSAR

Found 9 hits of ec50 data for polymerid = 50006512,5066   
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))
BDBM50100662
PNG
(CHEMBL553371 | CHEMBL77971 | methyl 2-(4-aminophen...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3
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n/an/an/an/a 7.90n/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Relaxant effect on isolated rabbit corpus cavernosum


J Med Chem 44: 2204-18 (2001)

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


(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/an/an/a 8.70n/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Relaxant effect on isolated rabbit corpus cavernosum


J Med Chem 44: 2204-18 (2001)

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


(Homo sapiens (human))
BDBM50100659
PNG
(CHEMBL544289 | methyl 2-(4-aminophenyl)-1-oxo-7-(3...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-14-20(15-27(39-2)30(26)40-3)28-24-12-11-23(42-18-19-6-5-13-34-17-19)16-25(24)31(36)35(29(28)32(37)41-4)22-9-7-21(33)8-10-22/h5-17H,18,33H2,1-4H3
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n/an/an/an/a 9.5n/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Relaxant effect on isolated rabbit corpus cavernosum


J Med Chem 44: 2204-18 (2001)

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


(Homo sapiens (human))
BDBM50100670
PNG
(CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3
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n/an/an/an/a 12n/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Relaxant effect on isolated rabbit corpus cavernosum


J Med Chem 44: 2204-18 (2001)

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


(Homo sapiens (human))
BDBM50100674
PNG
(CHEMBL541818 | methyl 2-(4-aminophenyl)-4-(3,5-dim...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(C)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O6/c1-19-27(38-2)15-20(16-28(19)39-3)29-25-13-12-24(41-18-22-7-5-6-14-34-22)17-26(25)31(36)35(30(29)32(37)40-4)23-10-8-21(33)9-11-23/h5-17H,18,33H2,1-4H3
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n/an/an/an/a 37n/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Relaxant effect on isolated rabbit corpus cavernosum


J Med Chem 44: 2204-18 (2001)

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


(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/an/an/a 42n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Relaxant effect on rabbit corpus cavernosal tissue strips


J Med Chem 44: 1025-7 (2001)

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


(Homo sapiens (human))
BDBM50100673
PNG
(CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3
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n/an/an/an/a 44n/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Relaxant effect on isolated rabbit corpus cavernosum


J Med Chem 44: 2204-18 (2001)

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


(Homo sapiens (human))
BDBM50098220
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyra...)
Show SMILES CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(cnc12)C(=O)NCc1ccncc1
Show InChI InChI=1S/C23H23ClN6O2/c1-3-30-22-17(14-29-30)21(26-12-16-4-5-20(32-2)19(24)10-16)18(13-27-22)23(31)28-11-15-6-8-25-9-7-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)(H,28,31)
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n/an/an/an/a 44n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Relaxant effect on rabbit corpus cavernosal tissue strips


J Med Chem 44: 1025-7 (2001)

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


(Homo sapiens (human))
BDBM50100656
PNG
(2-(4-Amino-phenyl)-7-benzyloxy-1-oxo-4-(3,4,5-trim...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C33H30N2O7/c1-38-27-16-21(17-28(39-2)31(27)40-3)29-25-15-14-24(42-19-20-8-6-5-7-9-20)18-26(25)32(36)35(30(29)33(37)41-4)23-12-10-22(34)11-13-23/h5-18H,19,34H2,1-4H3
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n/an/an/an/a 130n/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Relaxant effect on isolated rabbit corpus cavernosum


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair