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Compile Data Set for Download or QSAR

Found 131 hits Enz. Inhib. hit(s) with all data for entry = 50032983   
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
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337366
PNG
(2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidi...)
Show SMILES c1n[nH]c2ccc(cc12)-c1nc2ncccn2c1-c1ccccc1
Show InChI InChI=1S/C19H13N5/c1-2-5-13(6-3-1)18-17(22-19-20-9-4-10-24(18)19)14-7-8-16-15(11-14)12-21-23-16/h1-12H,(H,21,23)
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50337366
PNG
(2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidi...)
Show SMILES c1n[nH]c2ccc(cc12)-c1nc2ncccn2c1-c1ccccc1
Show InChI InChI=1S/C19H13N5/c1-2-5-13(6-3-1)18-17(22-19-20-9-4-10-24(18)19)14-7-8-16-15(11-14)12-21-23-16/h1-12H,(H,21,23)
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50337377
PNG
(CHEMBL1682552 | N-cyclohexyl-2-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H20N6/c1-2-5-15(6-3-1)22-18-17(23-19-20-9-4-10-25(18)19)13-7-8-16-14(11-13)12-21-24-16/h4,7-12,15,22H,1-3,5-6H2,(H,21,24)
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50337378
PNG
(2-(1H-indazol-5-yl)-N-isopropylimidazo[1,2-a]pyrim...)
Show SMILES CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H16N6/c1-10(2)19-15-14(20-16-17-6-3-7-22(15)16)11-4-5-13-12(8-11)9-18-21-13/h3-10,19H,1-2H3,(H,18,21)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50337379
PNG
(CHEMBL1682554 | N-butyl-2-(1H-indazol-5-yl)imidazo...)
Show SMILES CCCCNc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H18N6/c1-2-3-7-18-16-15(21-17-19-8-4-9-23(16)17)12-5-6-14-13(10-12)11-20-22-14/h4-6,8-11,18H,2-3,7H2,1H3,(H,20,22)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50337384
PNG
(4-(3-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H24FN5O/c24-20-5-2-17(3-6-20)22-23(18-4-7-21-19(14-18)15-26-27-21)29(16-25-22)9-1-8-28-10-12-30-13-11-28/h2-7,14-16H,1,8-13H2,(H,26,27)
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27n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337378
PNG
(2-(1H-indazol-5-yl)-N-isopropylimidazo[1,2-a]pyrim...)
Show SMILES CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H16N6/c1-10(2)19-15-14(20-16-17-6-3-7-22(15)16)11-4-5-13-12(8-11)9-18-21-13/h3-10,19H,1-2H3,(H,18,21)
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65n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50337382
PNG
(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imida...)
Show SMILES CN(C)CCn1cnc(c1-c1ccc2[nH]ncc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN5/c1-25(2)9-10-26-13-22-19(14-3-6-17(21)7-4-14)20(26)15-5-8-18-16(11-15)12-23-24-18/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
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67n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50337379
PNG
(CHEMBL1682554 | N-butyl-2-(1H-indazol-5-yl)imidazo...)
Show SMILES CCCCNc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H18N6/c1-2-3-7-18-16-15(21-17-19-8-4-9-23(16)17)12-5-6-14-13(10-12)11-20-22-14/h4-6,8-11,18H,2-3,7H2,1H3,(H,20,22)
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114n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337379
PNG
(CHEMBL1682554 | N-butyl-2-(1H-indazol-5-yl)imidazo...)
Show SMILES CCCCNc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H18N6/c1-2-3-7-18-16-15(21-17-19-8-4-9-23(16)17)12-5-6-14-13(10-12)11-20-22-14/h4-6,8-11,18H,2-3,7H2,1H3,(H,20,22)
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116n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50337380
PNG
(CHEMBL1682555 | N-(4-chlorophenyl)-2-(1H-indazol-5...)
Show SMILES Clc1ccc(Nc2c(nc3ncccn23)-c2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H13ClN6/c20-14-3-5-15(6-4-14)23-18-17(24-19-21-8-1-9-26(18)19)12-2-7-16-13(10-12)11-22-25-16/h1-11,23H,(H,22,25)
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121n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337371
PNG
(CHEMBL1682546 | N-benzyl-4-(1H-indazol-5-yl)thiazo...)
Show SMILES C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C17H14N4S/c1-2-4-12(5-3-1)9-18-17-20-16(11-22-17)13-6-7-15-14(8-13)10-19-21-15/h1-8,10-11H,9H2,(H,18,20)(H,19,21)
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136n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50337365
PNG
(2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidine | CHEM...)
Show SMILES c1n[nH]c2ccc(cc12)-c1cn2cccnc2n1
Show InChI InChI=1S/C13H9N5/c1-4-14-13-16-12(8-18(13)5-1)9-2-3-11-10(6-9)7-15-17-11/h1-8H,(H,15,17)
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141n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337365
PNG
(2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidine | CHEM...)
Show SMILES c1n[nH]c2ccc(cc12)-c1cn2cccnc2n1
Show InChI InChI=1S/C13H9N5/c1-4-14-13-16-12(8-18(13)5-1)9-2-3-11-10(6-9)7-15-17-11/h1-8H,(H,15,17)
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226n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50337378
PNG
(2-(1H-indazol-5-yl)-N-isopropylimidazo[1,2-a]pyrim...)
Show SMILES CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H16N6/c1-10(2)19-15-14(20-16-17-6-3-7-22(15)16)11-4-5-13-12(8-11)9-18-21-13/h3-10,19H,1-2H3,(H,18,21)
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242n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337377
PNG
(CHEMBL1682552 | N-cyclohexyl-2-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H20N6/c1-2-5-15(6-3-1)22-18-17(23-19-20-9-4-10-25(18)19)13-7-8-16-14(11-13)12-21-24-16/h4,7-12,15,22H,1-3,5-6H2,(H,21,24)
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245n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50337370
PNG
(4-(1H-indazol-5-yl)-N-phenylthiazol-2-amine | CHEM...)
Show SMILES N(c1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C16H12N4S/c1-2-4-13(5-3-1)18-16-19-15(10-21-16)11-6-7-14-12(8-11)9-17-20-14/h1-10H,(H,17,20)(H,18,19)
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289n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50337377
PNG
(CHEMBL1682552 | N-cyclohexyl-2-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H20N6/c1-2-5-15(6-3-1)22-18-17(23-19-20-9-4-10-25(18)19)13-7-8-16-14(11-13)12-21-24-16/h4,7-12,15,22H,1-3,5-6H2,(H,21,24)
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307n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50337366
PNG
(2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidi...)
Show SMILES c1n[nH]c2ccc(cc12)-c1nc2ncccn2c1-c1ccccc1
Show InChI InChI=1S/C19H13N5/c1-2-5-13(6-3-1)18-17(22-19-20-9-4-10-24(18)19)14-7-8-16-15(11-14)12-21-23-16/h1-12H,(H,21,23)
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339n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337372
PNG
(4-(1H-indazol-5-yl)-N-phenethylthiazol-2-amine | C...)
Show SMILES C(Cc1ccccc1)Nc1nc(cs1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H16N4S/c1-2-4-13(5-3-1)8-9-19-18-21-17(12-23-18)14-6-7-16-15(10-14)11-20-22-16/h1-7,10-12H,8-9H2,(H,19,21)(H,20,22)
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364n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337367
PNG
(4-(1H-indazol-5-yl)-2-methylthiazole | CHEMBL16825...)
Show SMILES Cc1nc(cs1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C11H9N3S/c1-7-13-11(6-15-7)8-2-3-10-9(4-8)5-12-14-10/h2-6H,1H3,(H,12,14)
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513n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50337371
PNG
(CHEMBL1682546 | N-benzyl-4-(1H-indazol-5-yl)thiazo...)
Show SMILES C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C17H14N4S/c1-2-4-12(5-3-1)9-18-17-20-16(11-22-17)13-6-7-15-14(8-13)10-19-21-15/h1-8,10-11H,9H2,(H,18,20)(H,19,21)
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588n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aurora 2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337381
PNG
(CHEMBL1682556 | N-cyclohexyl-6-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H19N5S/c1-2-4-14(5-3-1)20-17-16(21-18-23(17)8-9-24-18)12-6-7-15-13(10-12)11-19-22-15/h6-11,14,20H,1-5H2,(H,19,22)
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622n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50337381
PNG
(CHEMBL1682556 | N-cyclohexyl-6-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H19N5S/c1-2-4-14(5-3-1)20-17-16(21-18-23(17)8-9-24-18)12-6-7-15-13(10-12)11-19-22-15/h6-11,14,20H,1-5H2,(H,19,22)
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642n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50337372
PNG
(4-(1H-indazol-5-yl)-N-phenethylthiazol-2-amine | C...)
Show SMILES C(Cc1ccccc1)Nc1nc(cs1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H16N4S/c1-2-4-13(5-3-1)8-9-19-18-21-17(12-23-18)14-6-7-16-15(10-14)11-20-22-16/h1-7,10-12H,8-9H2,(H,19,21)(H,20,22)
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810n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aurora 2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337374
PNG
(CHEMBL1682549 | N-benzyl-4-(1H-indazol-5-yl)-5-phe...)
Show SMILES C(Nc1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C23H18N4S/c1-3-7-16(8-4-1)14-24-23-26-21(22(28-23)17-9-5-2-6-10-17)18-11-12-20-19(13-18)15-25-27-20/h1-13,15H,14H2,(H,24,26)(H,25,27)
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822n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50337370
PNG
(4-(1H-indazol-5-yl)-N-phenylthiazol-2-amine | CHEM...)
Show SMILES N(c1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C16H12N4S/c1-2-4-13(5-3-1)18-16-19-15(10-21-16)11-6-7-14-12(8-11)9-17-20-14/h1-10H,(H,17,20)(H,18,19)
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834n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aurora 2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337370
PNG
(4-(1H-indazol-5-yl)-N-phenylthiazol-2-amine | CHEM...)
Show SMILES N(c1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C16H12N4S/c1-2-4-13(5-3-1)18-16-19-15(10-21-16)11-6-7-14-12(8-11)9-17-20-14/h1-10H,(H,17,20)(H,18,19)
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864n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337369
PNG
(CHEMBL1682544 | N-ethyl-4-(1H-indazol-5-yl)thiazol...)
Show SMILES CCNc1nc(cs1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C12H12N4S/c1-2-13-12-15-11(7-17-12)8-3-4-10-9(5-8)6-14-16-10/h3-7H,2H2,1H3,(H,13,15)(H,14,16)
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888n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337368
PNG
(4-(1H-indazol-5-yl)thiazol-2-amine | CHEMBL1682543)
Show SMILES Nc1nc(cs1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C10H8N4S/c11-10-13-9(5-15-10)6-1-2-8-7(3-6)4-12-14-8/h1-5H,(H2,11,13)(H,12,14)
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909n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50337381
PNG
(CHEMBL1682556 | N-cyclohexyl-6-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H19N5S/c1-2-4-14(5-3-1)20-17-16(21-18-23(17)8-9-24-18)12-6-7-15-13(10-12)11-19-22-15/h6-11,14,20H,1-5H2,(H,19,22)
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1.29E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337373
PNG
(4-(1H-indazol-5-yl)-N,5-diphenylthiazol-2-amine | ...)
Show SMILES N(c1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C22H16N4S/c1-3-7-15(8-4-1)21-20(16-11-12-19-17(13-16)14-23-26-19)25-22(27-21)24-18-9-5-2-6-10-18/h1-14H,(H,23,26)(H,24,25)
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1.41E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50337371
PNG
(CHEMBL1682546 | N-benzyl-4-(1H-indazol-5-yl)thiazo...)
Show SMILES C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C17H14N4S/c1-2-4-12(5-3-1)9-18-17-20-16(11-22-17)13-6-7-15-14(8-13)10-19-21-15/h1-8,10-11H,9H2,(H,18,20)(H,19,21)
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>1.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50337382
PNG
(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imida...)
Show SMILES CN(C)CCn1cnc(c1-c1ccc2[nH]ncc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN5/c1-25(2)9-10-26-13-22-19(14-3-6-17(21)7-4-14)20(26)15-5-8-18-16(11-15)12-23-24-18/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
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>1.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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>1.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50337384
PNG
(4-(3-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H24FN5O/c24-20-5-2-17(3-6-20)22-23(18-4-7-21-19(14-18)15-26-27-21)29(16-25-22)9-1-8-28-10-12-30-13-11-28/h2-7,14-16H,1,8-13H2,(H,26,27)
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>1.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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>1.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50337380
PNG
(CHEMBL1682555 | N-(4-chlorophenyl)-2-(1H-indazol-5...)
Show SMILES Clc1ccc(Nc2c(nc3ncccn23)-c2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H13ClN6/c20-14-3-5-15(6-4-14)23-18-17(24-19-21-8-1-9-26(18)19)12-2-7-16-13(10-12)11-22-25-16/h1-11,23H,(H,22,25)
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1.57E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50337365
PNG
(2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidine | CHEM...)
Show SMILES c1n[nH]c2ccc(cc12)-c1cn2cccnc2n1
Show InChI InChI=1S/C13H9N5/c1-4-14-13-16-12(8-18(13)5-1)9-2-3-11-10(6-9)7-15-17-11/h1-8H,(H,15,17)
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1.66E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50337377
PNG
(CHEMBL1682552 | N-cyclohexyl-2-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H20N6/c1-2-5-15(6-3-1)22-18-17(23-19-20-9-4-10-25(18)19)13-7-8-16-14(11-13)12-21-24-16/h4,7-12,15,22H,1-3,5-6H2,(H,21,24)
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>1.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50337370
PNG
(4-(1H-indazol-5-yl)-N-phenylthiazol-2-amine | CHEM...)
Show SMILES N(c1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C16H12N4S/c1-2-4-13(5-3-1)18-16-19-15(10-21-16)11-6-7-14-12(8-11)9-17-20-14/h1-10H,(H,17,20)(H,18,19)
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>1.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50337378
PNG
(2-(1H-indazol-5-yl)-N-isopropylimidazo[1,2-a]pyrim...)
Show SMILES CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H16N6/c1-10(2)19-15-14(20-16-17-6-3-7-22(15)16)11-4-5-13-12(8-11)9-18-21-13/h3-10,19H,1-2H3,(H,18,21)
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>1.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50337371
PNG
(CHEMBL1682546 | N-benzyl-4-(1H-indazol-5-yl)thiazo...)
Show SMILES C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C17H14N4S/c1-2-4-12(5-3-1)9-18-17-20-16(11-22-17)13-6-7-15-14(8-13)10-19-21-15/h1-8,10-11H,9H2,(H,18,20)(H,19,21)
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>1.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50337365
PNG
(2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidine | CHEM...)
Show SMILES c1n[nH]c2ccc(cc12)-c1cn2cccnc2n1
Show InChI InChI=1S/C13H9N5/c1-4-14-13-16-12(8-18(13)5-1)9-2-3-11-10(6-9)7-15-17-11/h1-8H,(H,15,17)
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>1.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50337376
PNG
(CHEMBL1682551 | N-cyclohexyl-2-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2cnccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H20N6/c1-2-4-15(5-3-1)22-19-18(23-17-12-20-8-9-25(17)19)13-6-7-16-14(10-13)11-21-24-16/h6-12,15,22H,1-5H2,(H,21,24)
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1.85E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50337369
PNG
(CHEMBL1682544 | N-ethyl-4-(1H-indazol-5-yl)thiazol...)
Show SMILES CCNc1nc(cs1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C12H12N4S/c1-2-13-12-15-11(7-17-12)8-3-4-10-9(5-8)6-14-16-10/h3-7H,2H2,1H3,(H,13,15)(H,14,16)
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1.95E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50337376
PNG
(CHEMBL1682551 | N-cyclohexyl-2-(1H-indazol-5-yl)im...)
Show SMILES C1CCC(CC1)Nc1c(nc2cnccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H20N6/c1-2-4-15(5-3-1)22-19-18(23-17-12-20-8-9-25(17)19)13-6-7-16-14(10-13)11-21-24-16/h6-12,15,22H,1-5H2,(H,21,24)
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2.07E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aurora 2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50337368
PNG
(4-(1H-indazol-5-yl)thiazol-2-amine | CHEMBL1682543)
Show SMILES Nc1nc(cs1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C10H8N4S/c11-10-13-9(5-15-10)6-1-2-8-7(3-6)4-12-14-8/h1-5H,(H2,11,13)(H,12,14)
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2.13E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aurora 2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
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