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11 similar compounds to monomer 50305006

Compile data set for download or QSAR
Wt: 382.4
BDBM50305003
Wt: 439.5
BDBM50305007
Wt: 453.5
BDBM50305008
Wt: 493.6
BDBM50305009
Wt: 440.5
BDBM50305010
Wt: 454.5
BDBM50305011
Wt: 440.4
BDBM50305012
Wt: 454.5
BDBM50305013
Wt: 453.5
BDBM50305014
Wt: 446.5
BDBM50305015
Wt: 424.5
BDBM50305016

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50305003,50305007,50305008,50305009,50305010,50305011,50305012,50305013,50305014,50305015,50305016   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305003
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-p...)
Show SMILES Nc1ncc2[nH]cc(-c3cc(-c4cc5ccccc5s4)c4n[nH]cc4c3)c2n1
Show InChI InChI=1S/C21H14N6S/c22-21-24-10-16-20(26-21)15(9-23-16)12-5-13-8-25-27-19(13)14(6-12)18-7-11-3-1-2-4-17(11)28-18/h1-10,23H,(H,25,27)(H2,22,24,26)
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n/an/a 56n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305007
PNG
(5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-...)
Show SMILES NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C24H21N7S/c25-6-3-7-31-13-18(23-19(31)12-27-24(26)29-23)15-8-16-11-28-30-22(16)17(9-15)21-10-14-4-1-2-5-20(14)32-21/h1-2,4-5,8-13H,3,6-7,25H2,(H,28,30)(H2,26,27,29)
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305008
PNG
(5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C25H23N7S/c26-7-3-4-8-32-14-19(24-20(32)13-28-25(27)30-24)16-9-17-12-29-31-23(17)18(10-16)22-11-15-5-1-2-6-21(15)33-22/h1-2,5-6,9-14H,3-4,7-8,26H2,(H,29,31)(H2,27,28,30)
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n/an/a 260n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305009
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2...)
Show SMILES Nc1ncc2n(CCC3CCNCC3)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C28H27N7S/c29-28-31-15-23-27(33-28)22(16-35(23)10-7-17-5-8-30-9-6-17)19-11-20-14-32-34-26(20)21(12-19)25-13-18-3-1-2-4-24(18)36-25/h1-4,11-17,30H,5-10H2,(H,32,34)(H2,29,31,33)
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n/an/a 960n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305010
PNG
(3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...)
Show SMILES Nc1ncc2n(CCCO)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C24H20N6OS/c25-24-26-12-19-23(28-24)18(13-30(19)6-3-7-31)15-8-16-11-27-29-22(16)17(9-15)21-10-14-4-1-2-5-20(14)32-21/h1-2,4-5,8-13,31H,3,6-7H2,(H,27,29)(H2,25,26,28)
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n/an/a 37n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305016
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-is...)
Show SMILES CC(C)n1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C24H20N6S/c1-13(2)30-12-18(23-19(30)11-26-24(25)28-23)15-7-16-10-27-29-22(16)17(8-15)21-9-14-5-3-4-6-20(14)31-21/h3-13H,1-2H3,(H,27,29)(H2,25,26,28)
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n/an/a 490n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305012
PNG
(2-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...)
Show SMILES Nc1ncc2n(CC(O)=O)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C23H16N6O2S/c24-23-25-9-17-22(27-23)16(10-29(17)11-20(30)31)13-5-14-8-26-28-21(14)15(6-13)19-7-12-3-1-2-4-18(12)32-19/h1-10H,11H2,(H,26,28)(H,30,31)(H2,24,25,27)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305013
PNG
(3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...)
Show SMILES Nc1ncc2n(CCC(O)=O)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1
Show InChI InChI=1S/C24H18N6O2S/c25-24-26-11-18-23(28-24)17(12-30(18)6-5-21(31)32)14-7-15-10-27-29-22(15)16(8-14)20-9-13-3-1-2-4-19(13)33-20/h1-4,7-12H,5-6H2,(H,27,29)(H,31,32)(H2,25,26,28)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305014
PNG
(3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...)
Show SMILES NC(=O)CCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C24H19N7OS/c25-21(32)5-6-31-12-17(23-18(31)11-27-24(26)29-23)14-7-15-10-28-30-22(15)16(8-14)20-9-13-3-1-2-4-19(13)33-20/h1-4,7-12H,5-6H2,(H2,25,32)(H,28,30)(H2,26,27,29)
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n/an/a 41n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305015
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(c...)
Show SMILES Nc1ncc2n(cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1)C1C=CC=C1
Show InChI InChI=1S/C26H18N6S/c27-26-28-13-21-25(30-26)20(14-32(21)18-6-2-3-7-18)16-9-17-12-29-31-24(17)19(10-16)23-11-15-5-1-4-8-22(15)33-23/h1-14,18H,(H,29,31)(H2,27,28,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50305011
PNG
(7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(3...)
Show SMILES COCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C25H22N6OS/c1-32-8-4-7-31-14-19(24-20(31)13-27-25(26)29-24)16-9-17-12-28-30-23(17)18(10-16)22-11-15-5-2-3-6-21(15)33-22/h2-3,5-6,9-14H,4,7-8H2,1H3,(H,28,30)(H2,26,27,29)
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n/an/a 820n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 334-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ
More data for this
Ligand-Target Pair