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PubMed code 10753463

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM50086873
PNG
(3-[1-(4-Fluoro-benzyl)-8-oxo-7,8-dihydro-1H-imidaz...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1)C(N)=O
Show InChI InChI=1S/C26H22FN5O3/c1-2-9-35-23-8-5-16(24(28)33)10-19(23)25-30-20-12-21-22(11-18(20)26(34)31-25)32(14-29-21)13-15-3-6-17(27)7-4-15/h3-8,10-12,14H,2,9,13H2,1H3,(H2,28,33)(H,30,31,34)
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PubMed
n/an/a 0.480n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase type 5 (PDE5) of human platelets


J Med Chem 43: 1257-63 (2001)


BindingDB Entry DOI: 10.7270/Q2125RW8
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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PubMed
n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase type 5 (PDE5) of human platelets


J Med Chem 43: 1257-63 (2001)


BindingDB Entry DOI: 10.7270/Q2125RW8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50086875
PNG
(6-[5-(4-Methyl-piperazine-1-sulfonyl)-2-propoxy-ph...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3[nH]cnc3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O4S/c1-3-10-33-21-5-4-15(34(31,32)29-8-6-28(2)7-9-29)11-17(21)22-26-18-13-20-19(24-14-25-20)12-16(18)23(30)27-22/h4-5,11-14H,3,6-10H2,1-2H3,(H,24,25)(H,26,27,30)
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PubMed
n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase type 5 (PDE5) of human platelets


J Med Chem 43: 1257-63 (2001)


BindingDB Entry DOI: 10.7270/Q2125RW8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50086872
PNG
(1-Benzyl-6-[5-(4-methyl-piperazine-1-sulfonyl)-2-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2cc3ncn(Cc4ccccc4)c3cc2c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C30H32N6O4S/c1-3-15-40-28-10-9-22(41(38,39)36-13-11-34(2)12-14-36)16-24(28)29-32-25-18-26-27(17-23(25)30(37)33-29)35(20-31-26)19-21-7-5-4-6-8-21/h4-10,16-18,20H,3,11-15,19H2,1-2H3,(H,32,33,37)
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PubMed
n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase type 5 (PDE5) of human platelets


J Med Chem 43: 1257-63 (2001)


BindingDB Entry DOI: 10.7270/Q2125RW8
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50086874
PNG
(6-(2-Propoxy-phenyl)-3,7-dihydro-imidazo[4,5-g]qui...)
Show SMILES CCCOc1ccccc1-c1nc2cc3[nH]cnc3cc2c(=O)[nH]1
Show InChI InChI=1S/C18H16N4O2/c1-2-7-24-16-6-4-3-5-11(16)17-21-13-9-15-14(19-10-20-15)8-12(13)18(23)22-17/h3-6,8-10H,2,7H2,1H3,(H,19,20)(H,21,22,23)
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PubMed
n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase type 5 (PDE5) of human platelets


J Med Chem 43: 1257-63 (2001)


BindingDB Entry DOI: 10.7270/Q2125RW8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%