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PubMed code 21862328

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354559
PNG
(CHEMBL1836724)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C16H13N3O3S2/c1-9(20)19-11-4-2-10(3-5-11)13-6-12-15(24-13)16(18-8-17-12)23-7-14(21)22/h2-6,8H,7H2,1H3,(H,19,20)(H,21,22)
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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354560
PNG
(CHEMBL1836641)
Show SMILES OC(=O)COc1ncnc2cc(sc12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H10N4O3S/c20-13(21)6-22-15-14-11(16-7-17-15)4-12(23-14)8-1-2-10-9(3-8)5-18-19-10/h1-5,7H,6H2,(H,18,19)(H,20,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354540
PNG
(CHEMBL1836717)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H9N3O2S2/c16-6-9-1-3-10(4-2-9)12-5-11-14(22-12)15(18-8-17-11)21-7-13(19)20/h1-5,8H,7H2,(H,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354541
PNG
(CHEMBL1836714)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H9ClN2O2S2/c15-9-3-1-8(2-4-9)11-5-10-13(21-11)14(17-7-16-10)20-6-12(18)19/h1-5,7H,6H2,(H,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354542
PNG
(CHEMBL1836721)
Show SMILES NC(=O)c1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C15H11N3O3S2/c16-14(21)9-3-1-8(2-4-9)11-5-10-13(23-11)15(18-7-17-10)22-6-12(19)20/h1-5,7H,6H2,(H2,16,21)(H,19,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354544
PNG
(CHEMBL1836718)
Show SMILES COc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C15H12N2O3S2/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(17-8-16-11)21-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354543
PNG
(CHEMBL1836715)
Show SMILES Cc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C15H12N2O2S2/c1-9-2-4-10(5-3-9)12-6-11-14(21-12)15(17-8-16-11)20-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354545
PNG
(CHEMBL1836640)
Show SMILES OC(=O)COc1ncnc2cc(sc12)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H11N3O3S/c20-14(21)7-22-16-15-12(18-8-19-16)6-13(23-15)10-1-2-11-9(5-10)3-4-17-11/h1-6,8,17H,7H2,(H,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354546
PNG
(CHEMBL1836716)
Show SMILES Cc1cccc(c1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C15H12N2O2S2/c1-9-3-2-4-10(5-9)12-6-11-14(21-12)15(17-8-16-11)20-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354547
PNG
(CHEMBL1836712)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H9BrN2O2S2/c15-9-3-1-8(2-4-9)11-5-10-13(21-11)14(17-7-16-10)20-6-12(18)19/h1-5,7H,6H2,(H,18,19)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354548
PNG
(CHEMBL1836726)
Show SMILES CCOC(=O)CSc1ncnc2cc(I)sc12
Show InChI InChI=1S/C10H9IN2O2S2/c1-2-15-8(14)4-16-10-9-6(12-5-13-10)3-7(11)17-9/h3,5H,2,4H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354549
PNG
(CHEMBL1836639)
Show SMILES OC(=O)COc1ncnc2cc(sc12)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C17H13N3O4S/c21-14-4-2-9-5-10(1-3-11(9)20-14)13-6-12-16(25-13)17(19-8-18-12)24-7-15(22)23/h1,3,5-6,8H,2,4,7H2,(H,20,21)(H,22,23)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354550
PNG
(CHEMBL1836722)
Show SMILES NC(=O)c1cccc(c1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C15H11N3O3S2/c16-14(21)9-3-1-2-8(4-9)11-5-10-13(23-11)15(18-7-17-10)22-6-12(19)20/h1-5,7H,6H2,(H2,16,21)(H,19,20)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354551
PNG
(CHEMBL1836713)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FN2O2S2/c15-9-3-1-8(2-4-9)11-5-10-13(21-11)14(17-7-16-10)20-6-12(18)19/h1-5,7H,6H2,(H,18,19)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354552
PNG
(CHEMBL1836638)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2ncnc(OCC(O)=O)c2s1
Show InChI InChI=1S/C16H13N3O4S/c1-9(20)19-11-4-2-10(3-5-11)13-6-12-15(24-13)16(18-8-17-12)23-7-14(21)22/h2-6,8H,7H2,1H3,(H,19,20)(H,21,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354553
PNG
(CHEMBL1836727)
Show SMILES OC(=O)CSc1ncnc2cc(I)sc12
Show InChI InChI=1S/C8H5IN2O2S2/c9-5-1-4-7(15-5)8(11-3-10-4)14-2-6(12)13/h1,3H,2H2,(H,12,13)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354554
PNG
(CHEMBL1836728)
Show SMILES COc1ccc(cn1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C14H11N3O3S2/c1-20-11-3-2-8(5-15-11)10-4-9-13(22-10)14(17-7-16-9)21-6-12(18)19/h2-5,7H,6H2,1H3,(H,18,19)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354555
PNG
(CHEMBL1836637)
Show SMILES OC(=O)COc1ncnc2cc(sc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H9ClN2O3S/c15-9-3-1-8(2-4-9)11-5-10-13(21-11)14(17-7-16-10)20-6-12(18)19/h1-5,7H,6H2,(H,18,19)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354565
PNG
(CHEMBL1836719)
Show SMILES CSc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C15H12N2O2S3/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(17-8-16-11)21-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354557
PNG
(CHEMBL1836723)
Show SMILES CNC(=O)c1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C16H13N3O3S2/c1-17-15(22)10-4-2-9(3-5-10)12-6-11-14(24-12)16(19-8-18-11)23-7-13(20)21/h2-6,8H,7H2,1H3,(H,17,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354564
PNG
(CHEMBL1836643)
Show SMILES CN(CC(O)=O)c1ncnc2cc(sc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O2S/c1-19(7-13(20)21)15-14-11(17-8-18-15)6-12(22-14)9-2-4-10(16)5-3-9/h2-6,8H,7H2,1H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354563
PNG
(CHEMBL1836642)
Show SMILES OC(=O)CNc1ncnc2cc(sc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN3O2S/c15-9-3-1-8(2-4-9)11-5-10-13(21-11)14(18-7-17-10)16-6-12(19)20/h1-5,7H,6H2,(H,19,20)(H,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354556
PNG
(CHEMBL1836720)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2S2/c23-18(24)11-25-20-19-16(21-12-22-20)10-17(26-19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354558
PNG
(CHEMBL1836725)
Show SMILES CCOC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O2S2/c1-2-21-14(20)8-22-16-15-12(18-9-19-16)7-13(23-15)10-3-5-11(17)6-4-10/h3-7,9H,2,8H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354561
PNG
(CHEMBL1836729)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)s1
Show InChI InChI=1S/C12H7ClN2O2S3/c13-9-2-1-7(19-9)8-3-6-11(20-8)12(15-5-14-6)18-4-10(16)17/h1-3,5H,4H2,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))		BDBM50354562
PNG
(CHEMBL1836636)
Show SMILES CC1CCN(CC1)c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C14H17N3O2S2/c1-9-2-4-17(5-3-9)11-6-10-13(21-11)14(16-8-15-10)20-7-12(18)19/h6,8-9H,2-5,7H2,1H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TPL2

Bioorg Med Chem Lett 21: 5952-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.069
BindingDB Entry DOI: 10.7270/Q2X63NC0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%