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Compile Data Set for Download or QSAR

Found 1770 hits with Last Name = 'rasmussen' and Initial = 'lk'   
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
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279100
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.0420n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279101
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-N-[(1-methylimidaz...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.0450n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279063
PNG
(1-isopropyl-3-methyl-N-[(1-methylpyrazol-4-yl)meth...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.0650n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279017
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.0690n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM278972
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncc(C)s2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.0710n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173706
PNG
(US9102591, (+)2-chloro-N-[3-[1-(trifluoromethyl)cy...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1/C20H17ClF6N2O/c21-15-4-2-1-3-14(15)17(30)29-11-13(9-18(7-8-18)20(25,26)27)12-5-6-16(28-10-12)19(22,23)24/h1-6,10,13H,7-9,11H2,(H,29,30)
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n/an/a 0.0900n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9649308 (2017)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q2BG2R29
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173706
PNG
(US9102591, (+)2-chloro-N-[3-[1-(trifluoromethyl)cy...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1/C20H17ClF6N2O/c21-15-4-2-1-3-14(15)17(30)29-11-13(9-18(7-8-18)20(25,26)27)12-5-6-16(28-10-12)19(22,23)24/h1-6,10,13H,7-9,11H2,(H,29,30)
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n/an/a 0.0900n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279114
PNG
(1-isopropyl-3-methyl-N-[(1-methyl-1,2,4-triazol-3-...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.0950n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279104
PNG
(3-methyl-1-[1-methylpropyl]-5-(2-propoxy-3-pyridyl...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.0950n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279111
PNG
(1-isopropyl-3-methyl-N-[(1-methylimidazol-4-yl)met...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.100n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279001
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(1-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.110n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM278973
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)on2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.110n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279103
PNG
(3-methyl-1-[1-methylpropyl]-N-[(1-methyl-1,2,4-tri...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.120n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279101
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-N-[(1-methylimidaz...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.140n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279038
PNG
(3-methyl-1-[1-methylpropyl]-N-[(2-methyltetrazol-5...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nnn(C)n2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.140n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279002
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnc(C)s2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.140n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279090
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.150n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279135
PNG
(5-(2-ethoxy-3-pyridyl)-N-[[5-(fluoromethyl)isoxazo...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(CF)on2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.160n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279073
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-4...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccnc(OC)c2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.160n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279028
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.170n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279022
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2noc(C)n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.170n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279024
PNG
(N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(2-ethoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)n(C)n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.180n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM278976
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(1-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)nn2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.220n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279054
PNG
(5-(2-ethoxy-3-pyridyl)-N-[(2-fluoro-3-pyridyl)meth...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2F)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.220n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279047
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[[2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2C(F)(F)F)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.220n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279008
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncc(C)o2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.240n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279097
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-N-[(5-methyl-1,2,4...)
Show SMILES CCOc1ncccc1-c1cc(NCc2noc(C)n2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.260n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279050
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxy-2...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(OC)ccn2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.260n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279112
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.260n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279111
PNG
(1-isopropyl-3-methyl-N-[(1-methylimidazol-4-yl)met...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.260n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279088
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)CC
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US Patent
n/an/a 0.270n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
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n/an/a 0.280n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9649308 (2017)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q2BG2R29
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
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n/an/a 0.280n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
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n/an/a 0.280n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9649308 (2017)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q2BG2R29
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279068
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2H-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nn[nH]n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.310n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173675
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1/C19H17Cl2F3N2O/c20-15-3-1-2-14(17(15)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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n/an/a 0.310n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173675
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1/C19H17Cl2F3N2O/c20-15-3-1-2-14(17(15)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
PDB

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n/an/a 0.310n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9649308 (2017)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q2BG2R29
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279096
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.310n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279094
PNG
(5-(2-ethoxy-3-pyridyl)-N-[(5-methoxy-3-pyridyl)met...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cncc(OC)c2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.320n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242031
PNG
(US9415055, 2,3-Dichloro-N-[2-(4,4-difluoro-piperid...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)
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n/an/a 0.330n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280...


US Patent US9415055 (2016)


BindingDB Entry DOI: 10.7270/Q2NC604C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242031
PNG
(US9415055, 2,3-Dichloro-N-[2-(4,4-difluoro-piperid...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)
PDB

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n/an/a 0.330n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9593105 (2017)


Article DOI: 10.1021/jm020319p
BindingDB Entry DOI: 10.7270/Q2R49STH
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279044
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(pyr...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncccn2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.340n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM278978
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.340n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279100
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c2n(nc(C)c2n1)C(C)CC
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n/an/a 0.350n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279055
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2OC)c2n(nc(C)c2n1)C(C)C
PDB
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n/an/a 0.360n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279077
PNG
(3-[[[5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-p...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccn(C)c2=O)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.360n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279024
PNG
(N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(2-ethoxy-3...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)n(C)n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.390n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279069
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2-p...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccccn2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.390n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279003
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnc(C)s2)c2n(nc(C)c2n1)C(C)C
PDB
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n/an/a 0.410n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279114
PNG
(1-isopropyl-3-methyl-N-[(1-methyl-1,2,4-triazol-3-...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C
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n/an/a 0.410n/an/an/an/a7.625



H. Lundbeck A/S

US Patent




US Patent US10034861 (2018)


Article DOI: 10.1021/jm9804681
BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
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