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Compile Data Set for Download or QSAR

Found 4948 hits with Last Name = 'qian' and Initial = 'x'   
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))
BDBM384842
PNG
(N-[(1R)-1-(4-cyclopropyl-3- fluorophenyl)-2,2-dime...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(C2CC2)c(F)c1)C(C)(C)C |r|
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0.0300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86416
PNG
(Dmt-d-Arg-Phe-A2pr-NH2)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C29H43N9O5/c1-16-11-19(39)12-17(2)20(16)14-21(31)26(41)36-22(9-6-10-35-29(33)34)27(42)37-23(13-18-7-4-3-5-8-18)28(43)38-24(15-30)25(32)40/h3-5,7-8,11-12,21-24,39H,6,9-10,13-15,30-31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H,38,43)(H4,33,34,35)/t21-,22+,23-,24-/m0/s1
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0.0636n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384991
PNG
(2-(dimethylamino)-N-{(1S)-2- hydroxy-2-methyl-1-[4...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)S(F)(F)(F)(F)F)C(C)(C)O |r|
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0.0730n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384842
PNG
(N-[(1R)-1-(4-cyclopropyl-3- fluorophenyl)-2,2-dime...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(C2CC2)c(F)c1)C(C)(C)C |r|
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0.100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384789
PNG
(US10285989, Example 2)
Show SMILES CC(NC(=O)c1cc(=O)[nH]c(n1)S(C)(=O)=O)c1ccc(cc1)C(F)(F)F |w:1.0|
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384860
PNG
(N-{(1R)-1-[4-(1,1- difluoroethyl)phenyl]-2,2- dime...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C(C)(F)F)C(C)(C)C |r|
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384950
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES CO[C@H]1CCN(C1)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C(F)(F)F)C(C)(C)C |r|
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384821
PNG
(2-(dimethylamino)-N-{(1R)-1-[2- fluoro-4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1F)C(F)(F)F)C(C)(C)C |r|
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384822
PNG
(2-(dimethylamino)-N-{(1R)-2,2- dimethyl-1-[4-(pent...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)S(F)(F)F)C(C)(C)C |r|
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384819
PNG
(N-[(1R)-1-(4-cyclopropylphenyl)-2,2- dimethylpropy...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C1CC1)C(C)(C)C |r|
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0.110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384860
PNG
(N-{(1R)-1-[4-(1,1- difluoroethyl)phenyl]-2,2- dime...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C(C)(F)F)C(C)(C)C |r|
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384819
PNG
(N-[(1R)-1-(4-cyclopropylphenyl)-2,2- dimethylpropy...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C1CC1)C(C)(C)C |r|
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384887
PNG
(2-(dimethylamino)-N-[(1R)-2,2- dimethyl-1-{4- [(tr...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(SC(F)(F)F)cc1)C(C)(C)C |r|
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384885
PNG
(2-(dimethylamino)-N-{(1R)-1-[3-fluoro- 4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)C(C)(C)C |r|
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384887
PNG
(2-(dimethylamino)-N-[(1R)-2,2- dimethyl-1-{4- [(tr...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(SC(F)(F)F)cc1)C(C)(C)C |r|
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384988
PNG
(2-(dimethylamino)-N-{(1S)-1-[3- fluoro-4- (trifluo...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)C(C)(C)O |r|
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384821
PNG
(2-(dimethylamino)-N-{(1R)-1-[2- fluoro-4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1F)C(F)(F)F)C(C)(C)C |r|
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0.130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384822
PNG
(2-(dimethylamino)-N-{(1R)-2,2- dimethyl-1-[4-(pent...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)S(F)(F)F)C(C)(C)C |r|
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384949
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CC[C@H](F)C1)c1ccc(cc1)C(F)(F)F |r|
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384885
PNG
(2-(dimethylamino)-N-{(1R)-1-[3-fluoro- 4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)C(C)(C)C |r|
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85731
PNG
([Dmt1]DALDA)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86416
PNG
(Dmt-d-Arg-Phe-A2pr-NH2)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C29H43N9O5/c1-16-11-19(39)12-17(2)20(16)14-21(31)26(41)36-22(9-6-10-35-29(33)34)27(42)37-23(13-18-7-4-3-5-8-18)28(43)38-24(15-30)25(32)40/h3-5,7-8,11-12,21-24,39H,6,9-10,13-15,30-31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H,38,43)(H4,33,34,35)/t21-,22+,23-,24-/m0/s1
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0.145n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384789
PNG
(US10285989, Example 2)
Show SMILES CC(NC(=O)c1cc(=O)[nH]c(n1)S(C)(=O)=O)c1ccc(cc1)C(F)(F)F |w:1.0|
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384928
PNG
(N-[(1R)-2- methyl-1-{4- [(trifluoromethyl) sulfany...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(SC(F)(F)F)cc1 |r|
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384908
PNG
((S)- or (R)-2-(dimethylamino)-N-{1-[2- fluoro-4-(p...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)NC(c1ccc(cc1F)S(F)(F)(F)(F)F)C(C)(C)C
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85736
PNG
(Dmt-d-Arg-Phe-Orn-NH2 | H-Dmt-D-Arg-Phe-Orn-NH2)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C31H47N9O5/c1-18-14-21(41)15-19(2)22(18)17-23(33)28(43)39-25(11-7-13-37-31(35)36)29(44)40-26(16-20-8-4-3-5-9-20)30(45)38-24(27(34)42)10-6-12-32/h3-5,8-9,14-15,23-26,41H,6-7,10-13,16-17,32-33H2,1-2H3,(H2,34,42)(H,38,45)(H,39,43)(H,40,44)(H4,35,36,37)/t23-,24-,25+,26-/m0/s1
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0.151n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85736
PNG
(Dmt-d-Arg-Phe-Orn-NH2 | H-Dmt-D-Arg-Phe-Orn-NH2)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C31H47N9O5/c1-18-14-21(41)15-19(2)22(18)17-23(33)28(43)39-25(11-7-13-37-31(35)36)29(44)40-26(16-20-8-4-3-5-9-20)30(45)38-24(27(34)42)10-6-12-32/h3-5,8-9,14-15,23-26,41H,6-7,10-13,16-17,32-33H2,1-2H3,(H2,34,42)(H,38,45)(H,39,43)(H,40,44)(H4,35,36,37)/t23-,24-,25+,26-/m0/s1
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0.161n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85731
PNG
([Dmt1]DALDA)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
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0.163n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384857
PNG
(N-{(1R)-1-[4-(difluoromethyl)-2- fluorophenyl]-2,2...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1F)C(F)F)C(C)(C)C |r|
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0.170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384949
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CC[C@H](F)C1)c1ccc(cc1)C(F)(F)F |r|
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0.170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384884
PNG
(2-(dimethylamino)-N-{(1R)-2,2- dimethyl-1-[4- (tri...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(C)(C)C |r|
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0.170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM85731
PNG
([Dmt1]DALDA)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
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0.172n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86418
PNG
(Dmt-d-Ala-Phe-Phe-NH2)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H39N5O5/c1-19-14-24(38)15-20(2)25(19)18-26(33)31(41)35-21(3)30(40)37-28(17-23-12-8-5-9-13-23)32(42)36-27(29(34)39)16-22-10-6-4-7-11-22/h4-15,21,26-28,38H,16-18,33H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)(H,37,40)/t21-,26+,27+,28+/m1/s1
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0.173n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM86418
PNG
(Dmt-d-Ala-Phe-Phe-NH2)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H39N5O5/c1-19-14-24(38)15-20(2)25(19)18-26(33)31(41)35-21(3)30(40)37-28(17-23-12-8-5-9-13-23)32(42)36-27(29(34)39)16-22-10-6-4-7-11-22/h4-15,21,26-28,38H,16-18,33H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)(H,37,40)/t21-,26+,27+,28+/m1/s1
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0.174n/an/an/an/an/an/an/an/a



Cornell University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 947-54 (2003)


Article DOI: 10.1124/jpet.103.054775
BindingDB Entry DOI: 10.7270/Q24748FX
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384886
PNG
(2-(dimethylamino)-N-{(1R)-1-[3-fluoro- 4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(c(F)c1)C(F)(F)F)C(C)(C)C |r|
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0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384879
PNG
(N-{(1R)-2-methyl-1-[4- (trifluoromethyl)phenyl]pro...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(cc1)C(F)(F)F |r|
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0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384861
PNG
(N-{(1R)-1-[4-(1,1-difluoroethyl)-3- fluorophenyl]-...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(c(F)c1)C(C)(F)F |r|
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0.190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384928
PNG
(N-[(1R)-2- methyl-1-{4- [(trifluoromethyl) sulfany...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(SC(F)(F)F)cc1 |r|
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0.190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM50204596
PNG
(CHEMBL3977461 | US10285989, Example 30)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C18H21F3N4O2S/c1-10(2)15(11-5-7-12(8-6-11)28-18(19,20)21)24-16(27)13-9-14(26)23-17(22-13)25(3)4/h5-10,15H,1-4H3,(H,24,27)(H,22,23,26)/t15-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384875
PNG
(2-(dimethylamino)-N-{(1R)-2- methyl-1-[4- (trifluo...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(OC(F)(F)F)cc1 |r|
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0.190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384929
PNG
(2-azetidin-1-yl-N- [(1R)-2-methyl-1- {4-[(trifluor...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCC1)c1ccc(SC(F)(F)F)cc1 |r|
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384886
PNG
(2-(dimethylamino)-N-{(1R)-1-[3-fluoro- 4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(c(F)c1)C(F)(F)F)C(C)(C)C |r|
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384880
PNG
(2-(dimethylamino)-N-[(1R)-1-{3- fluoro-4- [(triflu...)
Show SMILES C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)c(F)c1 |r|
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384855
PNG
(N-[(R)-(4-cyclopropylphenyl)(1- methylcyclopropyl)...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C1CC1)C1(C)CC1 |r|
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0.210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384884
PNG
(2-(dimethylamino)-N-{(1R)-2,2- dimethyl-1-[4- (tri...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(C)(C)C |r|
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0.210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384811
PNG
(N-[(R)-cyclopropyl{4- [(trifluoromethyl)sulfanyl]p...)
Show SMILES FC(F)(F)Sc1ccc(cc1)[C@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)C1CC1 |r|
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0.210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384861
PNG
(N-{(1R)-1-[4-(1,1-difluoroethyl)-3- fluorophenyl]-...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(c(F)c1)C(C)(F)F |r|
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0.210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384813
PNG
(N-[(1R)-1-{3-fluoro-4- [(trifluoromethyl)sulfanyl]...)
Show SMILES CC[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(SC(F)(F)F)c(F)c1 |r|
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0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384908
PNG
((S)- or (R)-2-(dimethylamino)-N-{1-[2- fluoro-4-(p...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)NC(c1ccc(cc1F)S(F)(F)(F)(F)F)C(C)(C)C
PDB

UniProtKB/TrEMBL

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US Patent
0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM50204596
PNG
(CHEMBL3977461 | US10285989, Example 30)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C18H21F3N4O2S/c1-10(2)15(11-5-7-12(8-6-11)28-18(19,20)21)24-16(27)13-9-14(26)23-17(22-13)25(3)4/h5-10,15H,1-4H3,(H,24,27)(H,22,23,26)/t15-/m1/s1
PDB

UniProtKB/TrEMBL

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Similars

US Patent
0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


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


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
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