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Compile Data Set for Download or QSAR

Found 5574 hits with Last Name = 'shen' and Initial = 'd'   
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-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320811
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CCC(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
PDB
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0.0160n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320946
PNG
((R)- or (S)-1- (Cyclopropyl(4-(1,1- difluoroethyl)...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(c(F)c1)C(C)(F)F
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0.0200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320813
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320712
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-2-fluorop...)
Show SMILES CC(C)C(c1ccc(cc1F)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0250n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320811
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CCC(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0270n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320813
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320944
PNG
((R)- or (S)-1-(1-(4- (difluoromethyl)-2- fluorophe...)
Show SMILES CCC(c1ccc(cc1F)C(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320801
PNG
((R)- or (S)-l-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384842
PNG
(N-[(1R)-1-(4-cyclopropyl-3- fluorophenyl)-2,2-dime...)
PDB
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Article
0.0300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company





Bioorg Med Chem Lett 17: 4284-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.031
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320712
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-2-fluorop...)
Show SMILES CC(C)C(c1ccc(cc1F)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0360n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320799
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)pro...)
Show SMILES CCC(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0380n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320726
PNG
((R)- or (S)-6-(Dimethylamino)- 1-(1-(2-fluoro-4- (...)
Show SMILES CC(C)C(c1ccc(cc1F)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM357210
PNG
(US10214512, Example 151-a)
PDB
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0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10214512 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320732
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320795
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(2- fluoro-4-(t...)
Show SMILES CC(C)C(c1ccc(cc1F)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0410n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320797
PNG
((R)- or (S)-1-(Cyclopropyl(2-fluoro-4- (trifluorom...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
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0.0420n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320801
PNG
((R)- or (S)-l-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
PDB

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0.0430n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320670
PNG
((R)- or (S)-6-(Dimethylamino)-3- (hydroxymethyl)-1...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0440n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320817
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0440n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320809
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-2- fluorop...)
Show SMILES CCC(c1ccc(cc1F)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0450n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320815
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0460n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320728
PNG
((R)- or (S)-1-(Cyclopropyl(2- fluoro-4- (trifluoro...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
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0.0470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16318
PNG
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...)
Show SMILES CNc1nc(Nc2cc(ccc2C)C(=O)NOC)c(C#N)c(n1)N(C)CC(C)(C)C
Show InChI InChI=1S/C21H29N7O2/c1-13-8-9-14(19(29)27-30-7)10-16(13)24-17-15(11-22)18(26-20(23-5)25-17)28(6)12-21(2,3)4/h8-10H,12H2,1-7H3,(H,27,29)(H2,23,24,25,26)
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Article
PubMed
0.0470 -58.4n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320770
PNG
((R)- or (S)-6-(Dimethylamino)-3- (fluoromethyl)-1-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320789
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)eth...)
Show SMILES CC(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0480n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320793
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(2- fluoro-4-(t...)
Show SMILES CCC(c1ccc(cc1F)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0480n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320948
PNG
((R)- or (S)-1- (Cyclopropyl(4-(1,1- difluoroethyl)...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(C)(F)F
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0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320809
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-2- fluorop...)
Show SMILES CCC(c1ccc(cc1F)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320728
PNG
((R)- or (S)-1-(Cyclopropyl(2- fluoro-4- (trifluoro...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
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0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16319
PNG
(3-({2-amino-5-cyano-6-[(2,2-dimethylpropyl)(methyl...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N)nc(N(C)CC(C)(C)C)c2C#N)c1
Show InChI InChI=1S/C20H27N7O2/c1-12-7-8-13(18(28)26-29-6)9-15(12)23-16-14(10-21)17(25-19(22)24-16)27(5)11-20(2,3)4/h7-9H,11H2,1-6H3,(H,26,28)(H3,22,23,24,25)
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0.0500 -58.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320807
PNG
((R)- or (S)-1-(Cyclopropyl(4-(1,1- difluoroethyl)p...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1)C(C)(F)F
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0.0530n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320670
PNG
((R)- or (S)-6-(Dimethylamino)-3- (hydroxymethyl)-1...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0540n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320706
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3- fluoro...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0550n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320756
PNG
(US10174037, Example 162 | US10174037, Example 163)
Show SMILES CC(C)[C@@H](c1ccc(cc1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C |r|
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0.0560n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320706
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3- fluoro...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0570n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16317
PNG
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(N(C)CC(C)(C)C)c2C#N)N2CCCN(C)CC2)c1
Show InChI InChI=1S/C26H38N8O2/c1-18-9-10-19(24(35)31-36-7)15-21(18)28-22-20(16-27)23(33(6)17-26(2,3)4)30-25(29-22)34-12-8-11-32(5)13-14-34/h9-10,15H,8,11-14,17H2,1-7H3,(H,31,35)(H,28,29,30)
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0.0570 -57.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16329
PNG
(3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...)
Show SMILES CC(C)Nc1nc(N)nc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
Show InChI InChI=1S/C19H20N8O2/c1-10(2)22-16-13(9-20)17(26-19(21)25-16)23-14-8-12(5-4-11(14)3)18(28)24-15-6-7-29-27-15/h4-8,10H,1-3H3,(H,24,27,28)(H4,21,22,23,25,26)
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0.0570 -57.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320770
PNG
((R)- or (S)-6-(Dimethylamino)-3- (fluoromethyl)-1-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320797
PNG
((R)- or (S)-1-(Cyclopropyl(2-fluoro-4- (trifluorom...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
PDB

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0.0580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320774
PNG
((R)- or (S)-1-(Cyclopropyl(3-fluoro-4- (trifluorom...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(c(F)c1)C(F)(F)F
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0.0580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320726
PNG
((R)- or (S)-6-(Dimethylamino)- 1-(1-(2-fluoro-4- (...)
Show SMILES CC(C)C(c1ccc(cc1F)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0590n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320766
PNG
((R)- or (S)-6-(Dimethylamino)-3- (fluoromethyl)-1-...)
Show SMILES CCC(c1ccc(cc1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0630n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0630n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320817
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
PDB

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0.0630n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320776
PNG
((R)- or (S)-1-(Cyclopropyl(3-fluoro-4- (trifluorom...)
Show SMILES CC(C)c1ccc(cc1)C(C1CC1)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0640n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320732
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320815
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0670n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
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