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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'abbott' and Initial = 'bm'   
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
Substance-P receptor


(Homo sapiens (human))
BDBM50105595
PNG
((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1
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0.120n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 307-15 (2001)


BindingDB Entry DOI: 10.7270/Q2H130JX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50105595
PNG
((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1
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0.610n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 307-15 (2001)


BindingDB Entry DOI: 10.7270/Q2H130JX
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) using PDKtide substrate and [gamma-32P]ATP by scintillation counting method


Bioorg Med Chem 22: 3781-90 (2014)


Article DOI: 10.1016/j.bmc.2014.04.037
BindingDB Entry DOI: 10.7270/Q2DB83HS
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM10995
PNG
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)
Show SMILES CN[C@@H]1CCc2ccccc12
Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence o...


Bioorg Med Chem 22: 3879-86 (2014)


Article DOI: 10.1016/j.bmc.2014.06.018
BindingDB Entry DOI: 10.7270/Q2DR2X53
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (human))
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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n/an/a 600n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human platelet phosphodiesterase 3


Bioorg Med Chem Lett 14: 2847-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.043
BindingDB Entry DOI: 10.7270/Q2H70F8N
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50049555
PNG
(CHEMBL3311455)
Show SMILES COc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12
Show InChI InChI=1S/C18H20N6O2/c1-26-16-14-7-8-19-15(14)22-17(23-16)20-12-5-4-6-13(11-12)21-18(25)24-9-2-3-10-24/h4-8,11H,2-3,9-10H2,1H3,(H,21,25)(H2,19,20,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence o...


Bioorg Med Chem 22: 3879-86 (2014)


Article DOI: 10.1016/j.bmc.2014.06.018
BindingDB Entry DOI: 10.7270/Q2DR2X53
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50049556
PNG
(CHEMBL3311451)
Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12
Show InChI InChI=1S/C24H24N6O2/c1-32-19-9-7-16(8-10-19)21-20-11-12-25-22(20)29-23(28-21)26-17-5-4-6-18(15-17)27-24(31)30-13-2-3-14-30/h4-12,15H,2-3,13-14H2,1H3,(H,27,31)(H2,25,26,28,29)
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n/an/a 4.90E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence o...


Bioorg Med Chem 22: 3879-86 (2014)


Article DOI: 10.1016/j.bmc.2014.06.018
BindingDB Entry DOI: 10.7270/Q2DR2X53
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human platelet phosphodiesterase 2


Bioorg Med Chem Lett 14: 2847-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.043
BindingDB Entry DOI: 10.7270/Q2H70F8N
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50146422
PNG
(2-Morpholin-4-yl-8-phenylethynyl-chromen-4-one | 2...)
Show SMILES O=c1cc(oc2c(cccc12)C#Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H17NO3/c23-19-15-20(22-11-13-24-14-12-22)25-21-17(7-4-8-18(19)21)10-9-16-5-2-1-3-6-16/h1-8,15H,11-14H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human platelet phosphodiesterase 2


Bioorg Med Chem Lett 14: 2847-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.043
BindingDB Entry DOI: 10.7270/Q2H70F8N
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50146421
PNG
(8-(3-Chloro-phenyl)-6-methoxy-2-morpholin-4-yl-chr...)
Show SMILES COc1cc(-c2cccc(Cl)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C20H18ClNO4/c1-24-15-10-16(13-3-2-4-14(21)9-13)20-17(11-15)18(23)12-19(26-20)22-5-7-25-8-6-22/h2-4,9-12H,5-8H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human platelet phosphodiesterase 2


Bioorg Med Chem Lett 14: 2847-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.043
BindingDB Entry DOI: 10.7270/Q2H70F8N
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human platelet phosphodiesterase 2


Bioorg Med Chem Lett 14: 2847-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.043
BindingDB Entry DOI: 10.7270/Q2H70F8N
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human platelet phosphodiesterase 3


Bioorg Med Chem Lett 14: 2847-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.043
BindingDB Entry DOI: 10.7270/Q2H70F8N
More data for this
Ligand-Target Pair