Compile Data Set for Download or QSAR

Found 670 hits with Last Name = 'chaudhary' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50040805 (CHEMBL3361255) Show SMILES NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12 |r,wU:20.23,wD:17.16,6.5,3.3,(47.71,-11.7,;46.68,-10.55,;45.18,-10.87,;47.17,-9.09,;48.67,-8.78,;46.14,-7.95,;46.62,-6.48,;48.09,-6.01,;48.1,-4.47,;46.63,-3.99,;45.72,-2.74,;44.25,-3.22,;42.92,-2.45,;41.59,-3.22,;41.59,-4.77,;42.92,-5.54,;42.92,-7.07,;41.59,-7.84,;40.25,-7.07,;38.92,-7.84,;38.92,-9.37,;40.25,-10.15,;41.59,-9.38,;37.58,-10.14,;36.25,-9.35,;34.92,-10.11,;34.91,-11.65,;36.23,-12.43,;37.58,-11.66,;44.25,-4.77,;45.72,-5.23,)| Show InChI InChI=1/C22H30N4O4S/c23-20(28)16(27)11-13-1-6-17-18(13)19-21(24-12-25-22(19)31-17)30-15-4-2-14(3-5-15)26-7-9-29-10-8-26/h12-16,27H,1-11H2,(H2,23,28)/t13-,14-,15-,16+/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Discovery Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assay				J Med Chem 58: 96-110 (2015) Article DOI: 10.1021/jm5016044 BindingDB Entry DOI: 10.7270/Q2P84DHS
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50040726 (CHEMBL1236126) Show SMILES CC(C)(C)C(=O)Oc1ccc2n(CCCO)c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1 Show InChI InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	DrugBank PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Discovery Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin)				J Med Chem 58: 96-110 (2015) Article DOI: 10.1021/jm5016044 BindingDB Entry DOI: 10.7270/Q2P84DHS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50040806 (CHEMBL3361254) Show SMILES NC(=O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12 |r,wU:18.21,wD:15.14,4.3,(33.74,-8.14,;32.23,-8.45,;31.75,-9.91,;31.21,-7.3,;31.69,-5.84,;33.16,-5.37,;33.17,-3.83,;31.7,-3.35,;30.79,-2.1,;29.32,-2.58,;27.99,-1.82,;26.66,-2.58,;26.66,-4.13,;27.99,-4.9,;27.99,-6.43,;26.66,-7.2,;25.33,-6.43,;24,-7.19,;23.99,-8.73,;25.32,-9.5,;26.66,-8.74,;22.66,-9.49,;21.33,-8.71,;20,-9.47,;19.98,-11,;21.31,-11.78,;22.65,-11.02,;29.32,-4.13,;30.79,-4.59,)| Show InChI InChI=1/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Discovery Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assay				J Med Chem 58: 96-110 (2015) Article DOI: 10.1021/jm5016044 BindingDB Entry DOI: 10.7270/Q2P84DHS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50040807 (CHEMBL3361252) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3CCCc3c12 |r,wU:3.2,wD:6.9,(1.33,-8.58,;2.65,-9.36,;2.65,-10.89,;3.99,-8.59,;3.99,-7.05,;5.32,-6.29,;6.66,-7.06,;6.66,-8.6,;5.32,-9.36,;7.99,-6.29,;7.99,-4.76,;6.66,-3.99,;6.66,-2.45,;7.98,-1.68,;9.32,-2.44,;10.79,-1.96,;11.7,-3.21,;13.16,-3.69,;13.15,-5.23,;11.69,-5.7,;10.79,-4.45,;9.32,-3.99,)| Show InChI InChI=1/C17H24N4S/c1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h10-12H,3-9H2,1-2H3,(H,18,19,20)/t11-,12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Discovery Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assay				J Med Chem 58: 96-110 (2015) Article DOI: 10.1021/jm5016044 BindingDB Entry DOI: 10.7270/Q2P84DHS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C theta type (Homo sapiens (Human))	BDBM25558 (4-arylamino-3-pyridinecarbonitrile, 4p | 5-(3,4-di...) Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H18N4O2/c1-27-20-6-3-14(10-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-4-5-19-15(9-17)7-8-25-19/h3-10,12-13,25H,1-2H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	79	-40.1	70	n/a	n/a	n/a	n/a	7.2	22
Wyeth Research					Assay Description All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...				J Med Chem 51: 5958-63 (2008) Article DOI: 10.1021/jm800214a BindingDB Entry DOI: 10.7270/Q21V5C8K
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50239328 (2-(3-((dimethylamino)methyl)phenyl)-4-(4-methyl-1H...) Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C26H23N5S/c1-16-20-9-10-28-23(20)8-7-22(16)30-25-19(13-27)14-29-26-21(25)12-24(32-26)18-6-4-5-17(11-18)15-31(2)3/h4-12,14,28H,15H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta				Bioorg Med Chem Lett 18: 2850-3 (2008) Article DOI: 10.1016/j.bmcl.2008.03.077 BindingDB Entry DOI: 10.7270/Q251403C
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50239328 (2-(3-((dimethylamino)methyl)phenyl)-4-(4-methyl-1H...) Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C26H23N5S/c1-16-20-9-10-28-23(20)8-7-22(16)30-25-19(13-27)14-29-26-21(25)12-24(32-26)18-6-4-5-17(11-18)15-31(2)3/h4-12,14,28H,15H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta				Bioorg Med Chem Lett 18: 2850-3 (2008) Article DOI: 10.1016/j.bmcl.2008.03.077 BindingDB Entry DOI: 10.7270/Q251403C
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199616 (CHEMBL3933587) Show SMILES Fc1ccccc1-c1cc(=O)c2ccccc2[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199616 (CHEMBL3933587) Show SMILES Fc1ccccc1-c1cc(=O)c2ccccc2[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199475 (CHEMBL3939786) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199475 (CHEMBL3939786) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199485 (CHEMBL2375419) Show SMILES Oc1ccccc1C(=O)\C=C\c1ccccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199485 (CHEMBL2375419) Show SMILES Oc1ccccc1C(=O)\C=C\c1ccccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM25543 (4-[(3-bromophenyl)amino]-5-(3,4-dimethoxyphenyl)py...) Show SMILES COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(Br)c1 Show InChI InChI=1S/C20H16BrN3O2/c1-25-18-7-6-13(8-19(18)26-2)17-12-23-11-14(10-22)20(17)24-16-5-3-4-15(21)9-16/h3-9,11-12H,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	-30.0	4.60E+3	n/a	n/a	n/a	n/a	7.2	22
Wyeth Research					Assay Description All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...				J Med Chem 51: 5958-63 (2008) Article DOI: 10.1021/jm800214a BindingDB Entry DOI: 10.7270/Q21V5C8K
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199478 (CHEMBL3917910) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199478 (CHEMBL3917910) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199614 (CHEMBL1253710) Show SMILES Oc1ccccc1C(=O)\C=C\c1cccs1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199614 (CHEMBL1253710) Show SMILES Oc1ccccc1C(=O)\C=C\c1cccs1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199481 (CHEMBL3935227) Show SMILES CC(=O)c1ccccc1NC(=O)\C=C/c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199481 (CHEMBL3935227) Show SMILES CC(=O)c1ccccc1NC(=O)\C=C/c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199477 (CHEMBL3964948) Show SMILES O=C(Oc1c(oc2ccccc2c1=O)-c1ccccc1)\C=C\c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199477 (CHEMBL3964948) Show SMILES O=C(Oc1c(oc2ccccc2c1=O)-c1ccccc1)\C=C\c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM76395 ((E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-prop...) Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM76395 ((E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-prop...) Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199615 (CHEMBL227423) Show SMILES Oc1ccccc1\C=C\C(=O)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199615 (CHEMBL227423) Show SMILES Oc1ccccc1\C=C\C(=O)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199510 (CHEMBL3952356) Show SMILES Cc1ccsc1-c1cc(=O)c2ccccc2[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199510 (CHEMBL3952356) Show SMILES Cc1ccsc1-c1cc(=O)c2ccccc2[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50429775 (CHEMBL2336353 | N-(2-Hydroxyphenyl)Cinnamamide) Show SMILES Oc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C15H13NO2/c17-14-9-5-4-8-13(14)16-15(18)11-10-12-6-2-1-3-7-12/h1-11,17H,(H,16,18)/b11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50429775 (CHEMBL2336353 | N-(2-Hydroxyphenyl)Cinnamamide) Show SMILES Oc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C15H13NO2/c17-14-9-5-4-8-13(14)16-15(18)11-10-12-6-2-1-3-7-12/h1-11,17H,(H,16,18)/b11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199479 (CHEMBL3889898) Show SMILES O=C(NCCNCCSc1ccccc1)C1CCCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199479 (CHEMBL3889898) Show SMILES O=C(NCCNCCSc1ccccc1)C1CCCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199612 (CHEMBL3934770) Show SMILES OCCNC(=O)\C=C/c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	3.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199612 (CHEMBL3934770) Show SMILES OCCNC(=O)\C=C/c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	3.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199476 (CHEMBL590801) Show SMILES Oc1cc(\C=C\c2ccccc2)nc2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199476 (CHEMBL590801) Show SMILES Oc1cc(\C=C\c2ccccc2)nc2ccccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199482 (CHEMBL3963596) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NCCNCCSc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199482 (CHEMBL3963596) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NCCNCCSc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199613 (CHEMBL3955063) Show SMILES CCCCSCCNCCNP(=S)(OCC)OCC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199613 (CHEMBL3955063) Show SMILES CCCCSCCNCCNP(=S)(OCC)OCC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199483 (CHEMBL3895016) Show SMILES C(CSc1ccccc1)NCCN1CCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199483 (CHEMBL3895016) Show SMILES C(CSc1ccccc1)NCCN1CCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199513 (CHEMBL3942549) Show SMILES CCCSCCNCCNC(=O)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199513 (CHEMBL3942549) Show SMILES CCCSCCNCCNC(=O)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199484 (CHEMBL3924676) Show SMILES CCCSCCNCCNC(=O)\C=C\c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.89E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199484 (CHEMBL3924676) Show SMILES CCCSCCNCCNC(=O)\C=C\c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.89E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199480 (CHEMBL250859) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199480 (CHEMBL250859) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50040792 (CHEMBL3353195 | US9546153, ex. 510) Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(22.85,-1.69,;24.18,-2.47,;25.52,-1.7,;25.52,-.16,;26.85,-2.47,;28.19,-1.71,;29.51,-2.48,;29.51,-4.03,;28.18,-4.79,;26.85,-4.02,;30.84,-4.8,;32.18,-4.03,;32.18,-2.49,;33.51,-4.8,;33.51,-6.34,;34.84,-7.11,;36.18,-6.34,;37.51,-7.11,;38.85,-6.34,;38.84,-4.8,;40.16,-4.03,;41.5,-4.79,;42.97,-4.31,;43.88,-5.56,;42.98,-6.81,;41.5,-6.34,;40.18,-7.11,;36.17,-4.79,;34.84,-4.03,;34.83,-2.49,;36.17,-1.71,;37.51,-2.49,;38.83,-1.72,;38.84,-.18,;37.5,.59,;36.16,-.18,)| Show InChI InChI=1/C25H31N7O3S/c1-26-23(33)15-2-4-16(5-3-15)30-24(34)18-13-27-22(12-20(18)29-17-8-10-35-11-9-17)31-21-7-6-19-25(32-21)36-14-28-19/h6-7,12-17H,2-5,8-11H2,1H3,(H,26,33)(H,30,34)(H2,27,29,31,32)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00150	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Discovery Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by by Caliper assay				J Med Chem 58: 96-110 (2015) Article DOI: 10.1021/jm5016044 BindingDB Entry DOI: 10.7270/Q2P84DHS
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50040790 (CHEMBL3353197 | US9242975, 27) Show SMILES CNC(=O)c1nc(sc1C)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C Show InChI InChI=1S/C21H22N6OS2/c1-11(2)25-16-8-18(26-13-5-6-15-17(7-13)29-10-24-15)23-9-14(16)21-27-19(12(3)30-21)20(28)22-4/h5-11H,1-4H3,(H,22,28)(H2,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00180	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Discovery Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by by Caliper assay				J Med Chem 58: 96-110 (2015) Article DOI: 10.1021/jm5016044 BindingDB Entry DOI: 10.7270/Q2P84DHS
					More data for this Ligand-Target Pair

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