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PubMed code 21429745

Compile data set for download or QSAR
Found 49 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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418169
PNG
(CHEMBL1761516)
Show SMILES CCc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C14H15N3O2S/c1-2-8-3-5-9(6-4-8)11-7-10(12(15)18)13(20-11)17-14(16)19/h3-7H,2H2,1H3,(H2,15,18)(H3,16,17,19)
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n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418165
PNG
(CHEMBL1761512)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418166
PNG
(CHEMBL1761513)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-15(2)30(28,29)26-10-8-17(9-11-26)21-14-25-22-19(21)12-18(13-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,12-15,17,25H,8-11H2,1-2H3,(H2,24,27)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418167
PNG
(CHEMBL1761514)
Show SMILES CCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26)
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418163
PNG
(CHEMBL1761510)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418165
PNG
(CHEMBL1761512)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta in human PBMC assessed as TNF-alpha-induced Nuclear factor-kappa-B nuclear translocation

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418177
PNG
(CHEMBL1761504)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c16-12-3-1-9(2-4-12)11-7-10-5-6-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418168
PNG
(CHEMBL1761515)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C26H24ClN3O3S/c27-20-6-8-21(9-7-20)34(32,33)30-12-10-18(11-13-30)24-16-29-25-22(24)14-19(15-23(25)26(28)31)17-4-2-1-3-5-17/h1-9,14-16,18,29H,10-13H2,(H2,28,31)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418182
PNG
(CHEMBL1761509)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cc2ccccc2o1
Show InChI InChI=1S/C17H12N2O2/c18-17(20)13-8-12(7-11-5-6-19-16(11)13)15-9-10-3-1-2-4-14(10)21-15/h1-9,19H,(H2,18,20)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418164
PNG
(CHEMBL1761511 | D3RKN_31)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCNCC1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c21-20(24)17-11-15(13-4-2-1-3-5-13)10-16-18(12-23-19(16)17)14-6-8-22-9-7-14/h1-5,10-12,14,22-23H,6-9H2,(H2,21,24)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418174
PNG
(CHEMBL1761501)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(C(N)=O)c2[nH]ccc2c1
Show InChI InChI=1S/C16H15N3O3S/c1-23(21,22)19-13-4-2-10(3-5-13)12-8-11-6-7-18-15(11)14(9-12)16(17)20/h2-9,18-19H,1H3,(H2,17,20)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418176
PNG
(CHEMBL1761503)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O/c16-12-3-1-2-9(7-12)11-6-10-4-5-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50418165
PNG
(CHEMBL1761512)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418179
PNG
(CHEMBL1761506)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-5-6-18-15(12)14)11-3-1-10(9-19)2-4-11/h1-8,18-19H,9H2,(H2,17,20)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50418163
PNG
(CHEMBL1761510)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BTK

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418163
PNG
(CHEMBL1761510)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418172
PNG
(CHEMBL1761499)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c16-15(18)13-9-12(10-4-2-1-3-5-10)8-11-6-7-17-14(11)13/h1-9,17H,(H2,16,18)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50418163
PNG
(CHEMBL1761510)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of c-FMS

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50418165
PNG
(CHEMBL1761512)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BTK

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418181
PNG
(CHEMBL1761508)
Show SMILES COc1ccncc1-c1cc(C(N)=O)c2[nH]ccc2c1
Show InChI InChI=1S/C15H13N3O2/c1-20-13-3-4-17-8-12(13)10-6-9-2-5-18-14(9)11(7-10)15(16)19/h2-8,18H,1H3,(H2,16,19)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418173
PNG
(CHEMBL1761500)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(c1)C#N
Show InChI InChI=1S/C16H11N3O/c17-9-10-2-1-3-11(6-10)13-7-12-4-5-19-15(12)14(8-13)16(18)20/h1-8,19H,(H2,18,20)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418165
PNG
(CHEMBL1761512)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418167
PNG
(CHEMBL1761514)
Show SMILES CCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C22H25N3O3S/c1-2-29(27,28)25-10-8-16(9-11-25)20-14-24-21-18(20)12-17(13-19(21)22(23)26)15-6-4-3-5-7-15/h3-7,12-14,16,24H,2,8-11H2,1H3,(H2,23,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM42616
PNG
(3-bromanyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbo...)
Show SMILES NC(=O)c1cc(Br)cc2c3CCCCc3[nH]c12
Show InChI InChI=1S/C13H13BrN2O/c14-7-5-9-8-3-1-2-4-11(8)16-12(9)10(6-7)13(15)17/h5-6,16H,1-4H2,(H2,15,17)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418178
PNG
(CHEMBL1761505)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(CO)c1
Show InChI InChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-4-5-18-15(12)14)11-3-1-2-10(6-11)9-19/h1-8,18-19H,9H2,(H2,17,20)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM50418163
PNG
(CHEMBL1761510)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)
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n/an/a>3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of TBK-1

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418166
PNG
(CHEMBL1761513)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-15(2)30(28,29)26-10-8-17(9-11-26)21-14-25-22-19(21)12-18(13-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,12-15,17,25H,8-11H2,1-2H3,(H2,24,27)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))		BDBM50418165
PNG
(CHEMBL1761512)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
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n/an/a>3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of TBK-1

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		BDBM50418163
PNG
(CHEMBL1761510)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)
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n/an/a>3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-epsilon

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))		BDBM50418165
PNG
(CHEMBL1761512)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
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n/an/a>3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-epsilon

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418182
PNG
(CHEMBL1761509)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cc2ccccc2o1
Show InChI InChI=1S/C17H12N2O2/c18-17(20)13-8-12(7-11-5-6-19-16(11)13)15-9-10-3-1-2-4-14(10)21-15/h1-9,19H,(H2,18,20)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418174
PNG
(CHEMBL1761501)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(C(N)=O)c2[nH]ccc2c1
Show InChI InChI=1S/C16H15N3O3S/c1-23(21,22)19-13-4-2-10(3-5-13)12-8-11-6-7-18-15(11)14(9-12)16(17)20/h2-9,18-19H,1H3,(H2,17,20)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418180
PNG
(CHEMBL1964241)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cncnc1
Show InChI InChI=1S/C13H10N4O/c14-13(18)11-4-9(10-5-15-7-16-6-10)3-8-1-2-17-12(8)11/h1-7,17H,(H2,14,18)
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418176
PNG
(CHEMBL1761503)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O/c16-12-3-1-2-9(7-12)11-6-10-4-5-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418175
PNG
(CHEMBL1761502)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C15H11ClN2O/c16-13-4-2-1-3-11(13)10-7-9-5-6-18-14(9)12(8-10)15(17)19/h1-8,18H,(H2,17,19)
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418177
PNG
(CHEMBL1761504)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c16-12-3-1-9(2-4-12)11-7-10-5-6-18-14(10)13(8-11)15(17)19/h1-8,18H,(H2,17,19)
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418168
PNG
(CHEMBL1761515)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C26H24ClN3O3S/c27-20-6-8-21(9-7-20)34(32,33)30-12-10-18(11-13-30)24-16-29-25-22(24)14-19(15-23(25)26(28)31)17-4-2-1-3-5-17/h1-9,14-16,18,29H,10-13H2,(H2,28,31)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418164
PNG
(CHEMBL1761511 | D3RKN_31)
Show SMILES NC(=O)c1cc(cc2c(c[nH]c12)C1CCNCC1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c21-20(24)17-11-15(13-4-2-1-3-5-13)10-16-18(12-23-19(16)17)14-6-8-22-9-7-14/h1-5,10-12,14,22-23H,6-9H2,(H2,21,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418172
PNG
(CHEMBL1761499)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c16-15(18)13-9-12(10-4-2-1-3-5-10)8-11-6-7-17-14(11)13/h1-9,17H,(H2,16,18)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418173
PNG
(CHEMBL1761500)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(c1)C#N
Show InChI InChI=1S/C16H11N3O/c17-9-10-2-1-3-11(6-10)13-7-12-4-5-19-15(12)14(8-13)16(18)20/h1-8,19H,(H2,18,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418181
PNG
(CHEMBL1761508)
Show SMILES COc1ccncc1-c1cc(C(N)=O)c2[nH]ccc2c1
Show InChI InChI=1S/C15H13N3O2/c1-20-13-3-4-17-8-12(13)10-6-9-2-5-18-14(9)11(7-10)15(16)19/h2-8,18H,1H3,(H2,16,19)
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n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418175
PNG
(CHEMBL1761502)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C15H11ClN2O/c16-13-4-2-1-3-11(13)10-7-9-5-6-18-14(9)12(8-10)15(17)19/h1-8,18H,(H2,17,19)
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n/an/a>1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418179
PNG
(CHEMBL1761506)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-5-6-18-15(12)14)11-3-1-10(9-19)2-4-11/h1-8,18-19H,9H2,(H2,17,20)
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418170
PNG
(CHEMBL1760016)
Show SMILES OC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1
Show InChI InChI=1S/C15H11NO2/c17-15(18)13-9-12(10-4-2-1-3-5-10)8-11-6-7-16-14(11)13/h1-9,16H,(H,17,18)
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n/an/a>1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418180
PNG
(CHEMBL1964241)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cncnc1
Show InChI InChI=1S/C13H10N4O/c14-13(18)11-4-9(10-5-15-7-16-6-10)3-8-1-2-17-12(8)11/h1-7,17H,(H2,14,18)
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50418171
PNG
(CHEMBL1761517)
Show SMILES CN(C)C(=O)c1cc(cc2cc[nH]c12)-c1ccccc1
Show InChI InChI=1S/C17H16N2O/c1-19(2)17(20)15-11-14(12-6-4-3-5-7-12)10-13-8-9-18-16(13)15/h3-11,18H,1-2H3
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n/an/a>1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))		BDBM50418178
PNG
(CHEMBL1761505)
Show SMILES NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(CO)c1
Show InChI InChI=1S/C16H14N2O2/c17-16(20)14-8-13(7-12-4-5-18-15(12)14)11-3-1-2-10(6-11)9-19/h1-8,18-19H,9H2,(H2,17,20)
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-alpha

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50418165
PNG
(CHEMBL1761512)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)
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n/an/an/a 1.26E+3n/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to FLT3 assessed as dissociation constant

Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%