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Compile Data Set for Download or QSAR

Found 4757 hits with Last Name = 'bo' and Initial = 'y'   
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
Histone acetyltransferase KAT6B


(Homo sapiens)
BDBM580734
PNG
(US11492346, Example 74)
Show SMILES COC(=O)c1c(C)cccc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
PDB
MMDB

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KEGG

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0n/an/an/an/an/an/an/an/a


TBA

Assay Description
A. Compound preparation 1. Prepare 10 mM stock solutions in 100% DMSO from solid material 2. Serial dilute 10 mM, 1 mM or 0.1 mM compou...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23J3HT5
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT7


(Homo sapiens)
BDBM580680
PNG
(US11492346, Example 20)
Show SMILES COc1cc2CCCCc2cc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
PDB
MMDB

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0n/an/an/an/an/an/an/an/a


TBA

Assay Description
A. Compound preparation 1. Prepare 10 mM stock solutions in 100% DMSO from solid material 2. Serial dilute 10 mM, 1 mM or 0.1 mM compou...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23J3HT5
More data for this
Ligand-Target Pair
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
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
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
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
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))
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
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))
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))
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))
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))
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))
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
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM85177
PNG
(CAS_80558-61-8 | M&B-28767 | NSC_119139)
Show SMILES OC(COc1ccccc1)C=CC1CCC(=O)C1CCCCCCC(O)=O |w:11.12|
Show InChI InChI=1S/C22H30O5/c23-18(16-27-19-8-4-3-5-9-19)14-12-17-13-15-21(24)20(17)10-6-1-2-7-11-22(25)26/h3-5,8-9,12,14,17-18,20,23H,1-2,6-7,10-11,13,15-16H2,(H,25,26)
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0.140n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
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
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))
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
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
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
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
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
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
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
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
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))
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
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))
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))
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))
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))
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))
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
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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))
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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0.220n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384882
PNG
(2-(dimethylamino)-N-[(1R)-1-{3- fluoro-4- [(triflu...)
Show SMILES CC[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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0.230n/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))
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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0.230n/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))
BDBM384827
PNG
(2-(dimethylamino)-N-{(R)-(1- methylcyclopropyl)[4-...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C(F)(F)F)C1(C)CC1 |r|
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0.230n/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))
BDBM384931
PNG
(2-(dimethylamino)- N-[(1R)-1-{3- fluoro-4- [(trifl...)
Show SMILES CC(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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0.240n/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
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50562972
PNG
(CHEMBL4799997)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(C1=O)c1ccc(F)cc1F
PDB
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0.25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CAH7 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02077
BindingDB Entry DOI: 10.7270/Q2C25158
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
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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0.260n/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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