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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'laha' and Initial = 'jk'   
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
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 4.90n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262178
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)H-pyrazolo[1,5-a]py...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1ccc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H23N5/c1-2-4-25-23(3-1)22(11-12-28-25)24-17-29-31-18-20(7-10-26(24)31)19-5-8-21(9-6-19)30-15-13-27-14-16-30/h1-12,17-18,27H,13-16H2
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n/an/a 5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262017
PNG
(4-(6-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)p...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cnc3c(cnn3c2)-c2ccnc3ccccc23)CC1
Show InChI InChI=1S/C28H28N6O/c1-32-12-14-33(15-13-32)16-17-35-23-8-6-21(7-9-23)22-18-30-28-26(19-31-34(28)20-22)24-10-11-29-27-5-3-2-4-25(24)27/h2-11,18-20H,12-17H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340908
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(3-meth...)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2cccnc2)nc1N
Show InChI InChI=1S/C16H14N4O2S/c1-22-12-6-2-4-10(8-12)13(21)14-15(17)20-16(23-14)19-11-5-3-7-18-9-11/h2-9H,17H2,1H3,(H,19,20)
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n/an/a 11n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340911
PNG
((4-amino-2-(pyridin-4-ylamino)thiazol-5-yl)(3-fluo...)
Show SMILES Nc1nc(Nc2ccncc2)sc1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H11FN4OS/c16-10-3-1-2-9(8-10)12(21)13-14(17)20-15(22-13)19-11-4-6-18-7-5-11/h1-8H,17H2,(H,18,19,20)
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n/an/a 18n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50340902
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluo...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
Show InChI InChI=1S/C15H11FN4OS/c16-11-6-2-1-5-10(11)12(21)13-14(17)20-15(22-13)19-9-4-3-7-18-8-9/h1-8H,17H2,(H,19,20)
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n/an/a 25n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK2 in presence of 60 uM ATP


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340902
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluo...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
Show InChI InChI=1S/C15H11FN4OS/c16-11-6-2-1-5-10(11)12(21)13-14(17)20-15(22-13)19-9-4-3-7-18-8-9/h1-8H,17H2,(H,19,20)
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n/an/a 30n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340893
PNG
((4-amino-2-(3-aminophenylamino)thiazol-5-yl)(3-flu...)
Show SMILES Nc1nc(Nc2cccc(N)c2)sc1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H13FN4OS/c17-10-4-1-3-9(7-10)13(22)14-15(19)21-16(23-14)20-12-6-2-5-11(18)8-12/h1-8H,18-19H2,(H,20,21)
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n/an/a 31n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340896
PNG
((4-amino-2-(pyridin-2-ylamino)thiazol-5-yl)(3-fluo...)
Show SMILES Nc1nc(Nc2ccccn2)sc1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H11FN4OS/c16-10-5-3-4-9(8-10)12(21)13-14(17)20-15(22-13)19-11-6-1-2-7-18-11/h1-8H,17H2,(H,18,19,20)
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n/an/a 33n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340897
PNG
((4-amino-2-(pyridin-2-ylamino)thiazol-5-yl)(2-fluo...)
Show SMILES Nc1nc(Nc2ccccn2)sc1C(=O)c1ccccc1F
Show InChI InChI=1S/C15H11FN4OS/c16-10-6-2-1-5-9(10)12(21)13-14(17)20-15(22-13)19-11-7-3-4-8-18-11/h1-8H,17H2,(H,18,19,20)
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n/an/a 38n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340894
PNG
((4-amino-2-(3-(methylamino)phenylamino)thiazol-5-y...)
Show SMILES CNc1cccc(Nc2nc(N)c(s2)C(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C17H15FN4OS/c1-20-12-6-3-7-13(9-12)21-17-22-16(19)15(24-17)14(23)10-4-2-5-11(18)8-10/h2-9,20H,19H2,1H3,(H,21,22)
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n/an/a 44n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50340902
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluo...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
Show InChI InChI=1S/C15H11FN4OS/c16-11-6-2-1-5-10(11)12(21)13-14(17)20-15(22-13)19-9-4-3-7-18-8-9/h1-8H,17H2,(H,19,20)
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n/an/a 45n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta in presence of 60 uM ATP


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262016
PNG
(4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-12-24-22-20(13-25-26(22)14-16)18-10-11-23-21-5-3-2-4-19(18)21/h2-14H,1H3
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n/an/a 55n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340913
PNG
((4-amino-2-(pyridin-4-ylamino)thiazol-5-yl)(2-meth...)
Show SMILES COc1ccccc1C(=O)c1sc(Nc2ccncc2)nc1N
Show InChI InChI=1S/C16H14N4O2S/c1-22-12-5-3-2-4-11(12)13(21)14-15(17)20-16(23-14)19-10-6-8-18-9-7-10/h2-9H,17H2,1H3,(H,18,19,20)
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n/an/a 60n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340903
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(3-fluo...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H11FN4OS/c16-10-4-1-3-9(7-10)12(21)13-14(17)20-15(22-13)19-11-5-2-6-18-8-11/h1-8H,17H2,(H,19,20)
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n/an/a 62n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340895
PNG
((4-amino-2-(4-(dimethylamino)phenylamino)thiazol-5...)
Show SMILES CN(C)c1ccc(Nc2nc(N)c(s2)C(=O)c2cccc(F)c2)cc1
Show InChI InChI=1S/C18H17FN4OS/c1-23(2)14-8-6-13(7-9-14)21-18-22-17(20)16(25-18)15(24)11-4-3-5-12(19)10-11/h3-10H,20H2,1-2H3,(H,21,22)
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n/an/a 68n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340899
PNG
((4-amino-2-(pyridin-2-ylamino)thiazol-5-yl)(2-meth...)
Show SMILES COc1ccccc1C(=O)c1sc(Nc2ccccn2)nc1N
Show InChI InChI=1S/C16H14N4O2S/c1-22-11-7-3-2-6-10(11)13(21)14-15(17)20-16(23-14)19-12-8-4-5-9-18-12/h2-9H,17H2,1H3,(H,18,19,20)
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n/an/a 80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262018
PNG
(4-(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)pyrazolo[...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C28H27N5O/c1-4-14-32(15-5-1)16-17-34-23-10-8-21(9-11-23)22-18-30-28-26(19-31-33(28)20-22)24-12-13-29-27-7-3-2-6-25(24)27/h2-3,6-13,18-20H,1,4-5,14-17H2
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n/an/a 90n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340884
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(pyridi...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1cccnc1
Show InChI InChI=1S/C14H11N5OS/c15-13-12(11(20)9-3-1-5-16-7-9)21-14(19-13)18-10-4-2-6-17-8-10/h1-8H,15H2,(H,18,19)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340906
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(3-nitr...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N5O3S/c16-14-13(12(21)9-3-1-5-11(7-9)20(22)23)24-15(19-14)18-10-4-2-6-17-8-10/h1-8H,16H2,(H,18,19)
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n/an/a 130n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262177
PNG
(4-(6-(4-methoxyphenyl)H-pyrazolo[1,5-a]pyridin-3-y...)
Show SMILES COc1ccc(cc1)-c1ccc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C23H17N3O/c1-27-18-9-6-16(7-10-18)17-8-11-23-21(14-25-26(23)15-17)19-12-13-24-22-5-3-2-4-20(19)22/h2-15H,1H3
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n/an/a 150n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340887
PNG
((4-amino-2-(6-(trifluoromethyl)pyridin-3-ylamino)t...)
Show SMILES Nc1nc(Nc2ccc(nc2)C(F)(F)F)sc1C(=O)c1ccccc1F
Show InChI InChI=1S/C16H10F4N4OS/c17-10-4-2-1-3-9(10)12(25)13-14(21)24-15(26-13)23-8-5-6-11(22-7-8)16(18,19)20/h1-7H,21H2,(H,23,24)
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n/an/a 160n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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n/an/a 200n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 using full length tau as substrate by colorimetric ELISA


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340914
PNG
((4-amino-2-(pyridin-4-ylamino)thiazol-5-yl)(3-meth...)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccncc2)nc1N
Show InChI InChI=1S/C16H14N4O2S/c1-22-12-4-2-3-10(9-12)13(21)14-15(17)20-16(23-14)19-11-5-7-18-8-6-11/h2-9H,17H2,1H3,(H,18,19,20)
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n/an/a 200n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262078
PNG
(4-(3-(quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)...)
Show SMILES Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C21H14N4O/c26-16-7-5-14(6-8-16)15-11-23-21-19(12-24-25(21)13-15)17-9-10-22-20-4-2-1-3-18(17)20/h1-13,26H
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n/an/a 250n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340905
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(phenyl...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1
Show InChI InChI=1S/C15H12N4OS/c16-14-13(12(20)10-5-2-1-3-6-10)21-15(19-14)18-11-7-4-8-17-9-11/h1-9H,16H2,(H,18,19)
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n/an/a 341n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262127
PNG
(7-chloro-4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1...)
Show SMILES Clc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H21ClN6/c26-19-3-6-22-21(7-8-28-24(22)13-19)23-15-30-32-16-18(14-29-25(23)32)17-1-4-20(5-2-17)31-11-9-27-10-12-31/h1-8,13-16,27H,9-12H2
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n/an/a 350n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340910
PNG
((4-amino-2-(pyridin-4-ylamino)thiazol-5-yl)(2-fluo...)
Show SMILES Nc1nc(Nc2ccncc2)sc1C(=O)c1ccccc1F
Show InChI InChI=1S/C15H11FN4OS/c16-11-4-2-1-3-10(11)12(21)13-14(17)20-15(22-13)19-9-5-7-18-8-6-9/h1-8H,17H2,(H,18,19,20)
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n/an/a 360n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340900
PNG
((4-amino-2-(pyridin-2-ylamino)thiazol-5-yl)(3-meth...)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccccn2)nc1N
Show InChI InChI=1S/C16H14N4O2S/c1-22-11-6-4-5-10(9-11)13(21)14-15(17)20-16(23-14)19-12-7-2-3-8-18-12/h2-9H,17H2,1H3,(H,18,19,20)
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n/an/a 400n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340912
PNG
((4-amino-2-(pyridin-4-ylamino)thiazol-5-yl)(4-fluo...)
Show SMILES Nc1nc(Nc2ccncc2)sc1C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN4OS/c16-10-3-1-9(2-4-10)12(21)13-14(17)20-15(22-13)19-11-5-7-18-8-6-11/h1-8H,17H2,(H,18,19,20)
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n/an/a 400n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340907
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-meth...)
Show SMILES COc1ccccc1C(=O)c1sc(Nc2cccnc2)nc1N
Show InChI InChI=1S/C16H14N4O2S/c1-22-12-7-3-2-6-11(12)13(21)14-15(17)20-16(23-14)19-10-5-4-8-18-9-10/h2-9H,17H2,1H3,(H,19,20)
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n/an/a 418n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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n/an/a 430n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50261871
PNG
(6-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-3-(...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cnc3c(cnn3c2)-c2ccncc2)CC1
Show InChI InChI=1S/C24H26N6O/c1-28-10-12-29(13-11-28)14-15-31-22-4-2-19(3-5-22)21-16-26-24-23(17-27-30(24)18-21)20-6-8-25-9-7-20/h2-9,16-18H,10-15H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50261870
PNG
(CHEMBL511216 | N,N-diethyl-2-(4-(3-(pyridin-4-yl)p...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C23H25N5O/c1-3-27(4-2)13-14-29-21-7-5-18(6-8-21)20-15-25-23-22(16-26-28(23)17-20)19-9-11-24-12-10-19/h5-12,15-17H,3-4,13-14H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262081
PNG
(7-chloro-4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyri...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C22H15ClN4O/c1-28-17-5-2-14(3-6-17)15-11-25-22-20(12-26-27(22)13-15)18-8-9-24-21-10-16(23)4-7-19(18)21/h2-13H,1H3
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n/an/a 500n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340891
PNG
((4-amino-2-(piperidin-3-ylamino)thiazol-5-yl)(3-fl...)
Show SMILES Nc1nc(NC2CCCNC2)sc1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H17FN4OS/c16-10-4-1-3-9(7-10)12(21)13-14(17)20-15(22-13)19-11-5-2-6-18-8-11/h1,3-4,7,11,18H,2,5-6,8,17H2,(H,19,20)
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n/an/a 500n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340882
PNG
((4-amino-2-(pyridin-4-ylamino)thiazol-5-yl)(4-meth...)
Show SMILES COc1ccc(cc1)C(=O)c1sc(Nc2ccncc2)nc1N
Show InChI InChI=1S/C16H14N4O2S/c1-22-12-4-2-10(3-5-12)13(21)14-15(17)20-16(23-14)19-11-6-8-18-9-7-11/h2-9H,17H2,1H3,(H,18,19,20)
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n/an/a 600n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340889
PNG
((4-amino-2-(4-chlorophenylamino)thiazol-5-yl)(3-fl...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H11ClFN3OS/c17-10-4-6-12(7-5-10)20-16-21-15(19)14(23-16)13(22)9-2-1-3-11(18)8-9/h1-8H,19H2,(H,20,21)
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n/an/a 700n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262020
PNG
(4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline...)
Show SMILES c1nn2cc(cnc2c1-c1ccnc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H14N4/c1-2-6-15(7-3-1)16-12-23-21-19(13-24-25(21)14-16)17-10-11-22-20-9-5-4-8-18(17)20/h1-14H
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n/an/a 750n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340888
PNG
((4-amino-2-(4-chlorophenylamino)thiazol-5-yl)(3-ni...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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n/an/a 750n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340883
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(pyridi...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccn1
Show InChI InChI=1S/C14H11N5OS/c15-13-12(11(20)10-5-1-2-7-17-10)21-14(19-13)18-9-4-3-6-16-8-9/h1-8H,15H2,(H,18,19)
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n/an/a 800n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340901
PNG
((4-amino-2-(pyridin-2-ylamino)thiazol-5-yl)(4-meth...)
Show SMILES COc1ccc(cc1)C(=O)c1sc(Nc2ccccn2)nc1N
Show InChI InChI=1S/C16H14N4O2S/c1-22-11-7-5-10(6-8-11)13(21)14-15(17)20-16(23-14)19-12-4-2-3-9-18-12/h2-9H,17H2,1H3,(H,18,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340898
PNG
((4-amino-2-(pyridin-2-ylamino)thiazol-5-yl)(4-fluo...)
Show SMILES Nc1nc(Nc2ccccn2)sc1C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN4OS/c16-10-6-4-9(5-7-10)12(21)13-14(17)20-15(22-13)19-11-3-1-2-8-18-11/h1-8H,17H2,(H,18,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340885
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(pyridi...)
Show SMILES Nc1nc(Nc2cccnc2)sc1C(=O)c1ccncc1
Show InChI InChI=1S/C14H11N5OS/c15-13-12(11(20)9-3-6-16-7-4-9)21-14(19-13)18-10-2-1-5-17-8-10/h1-8H,15H2,(H,18,19)
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n/an/a 1.71E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50340888
PNG
((4-amino-2-(4-chlorophenylamino)thiazol-5-yl)(3-ni...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 using full length tau as substrate by colorimetric ELISA


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM5416
PNG
(4-(2-{4-[3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C23H23N5O2/c1-3-21(30-14-11-27-9-12-29-13-10-27)4-2-18(1)20-15-25-23-22(16-26-28(23)17-20)19-5-7-24-8-6-19/h1-8,15-17H,9-14H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50262130
PNG
(4-(3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)H-pyrrolo...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(ccn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C29H28N4O/c1-4-15-32(16-5-1)18-19-34-24-10-8-22(9-11-24)23-20-31-29-27(13-17-33(29)21-23)25-12-14-30-28-7-3-2-6-26(25)28/h2-3,6-14,17,20-21H,1,4-5,15-16,18-19H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50261979
PNG
(5-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Homo sapiens (Human))
BDBM50261976
PNG
(3-(3-fluoropyridin-4-yl)-6-(4-(2-(4-methylpiperazi...)
Show SMILES CN1CCN(CCOc2ccc(cc2)-c2cnc3c(cnn3c2)-c2ccncc2F)CC1
Show InChI InChI=1S/C24H25FN6O/c1-29-8-10-30(11-9-29)12-13-32-20-4-2-18(3-5-20)19-14-27-24-22(15-28-31(24)17-19)21-6-7-26-16-23(21)25/h2-7,14-17H,8-13H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BMP4 (unknown origin)-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA


Bioorg Med Chem Lett 18: 4388-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.052
BindingDB Entry DOI: 10.7270/Q2BR8S0V
More data for this
Ligand-Target Pair
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