Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50039628   

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
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381135 (CHEMBL2017736) Show SMILES CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C24H28N8/c1-32-9-7-16(8-10-32)15-26-21-13-22(27-23-12-20(30-31-23)18-5-6-18)29-24(28-21)19-4-2-3-17(11-19)14-25/h2-4,11-13,16,18H,5-10,15H2,1H3,(H3,26,27,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381134 (CHEMBL2017735) Show SMILES CN(C)CCNc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H24N8/c1-29(2)9-8-23-18-12-19(24-20-11-17(27-28-20)15-6-7-15)26-21(25-18)16-5-3-4-14(10-16)13-22/h3-5,10-12,15H,6-9H2,1-2H3,(H3,23,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381136 (CHEMBL2017737) Show SMILES CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2cccc(c2)S(C)(=O)=O)CC1 Show InChI InChI=1S/C24H31N7O2S/c1-31-10-8-16(9-11-31)15-25-21-14-22(26-23-13-20(29-30-23)17-6-7-17)28-24(27-21)18-4-3-5-19(12-18)34(2,32)33/h3-5,12-14,16-17H,6-11,15H2,1-2H3,(H3,25,26,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381139 (CHEMBL2017871) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)-c1cccc(c1)C#N |r| Show InChI InChI=1S/C23H22F3N7/c1-32(2)18-7-9-33(14-18)21-12-20(29-19-11-17(6-8-28-19)23(24,25)26)30-22(31-21)16-5-3-4-15(10-16)13-27/h3-6,8,10-12,18H,7,9,14H2,1-2H3,(H,28,29,30,31)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381131 (CHEMBL2017732) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N7/c1-28(2)17-10-11-29(14-17)21-13-19(23-20-12-18(26-27-20)15-8-9-15)24-22(25-21)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381129 (CHEMBL2017730) Show SMILES CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H29N7/c1-30-11-9-16(10-12-30)15-24-20-14-21(25-22-13-19(28-29-22)17-7-8-17)27-23(26-20)18-5-3-2-4-6-18/h2-6,13-14,16-17H,7-12,15H2,1H3,(H3,24,25,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381132 (CHEMBL2017733) Show SMILES C(CN1CCCC1)Oc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 Show InChI InChI=1S/C22H26N6O/c1-2-6-17(7-3-1)22-24-19(23-20-14-18(26-27-20)16-8-9-16)15-21(25-22)29-13-12-28-10-4-5-11-28/h1-3,6-7,14-16H,4-5,8-13H2,(H2,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381133 (CHEMBL2017734) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1cccc(c1)C#N |r| Show InChI InChI=1S/C23H26N8/c1-30(2)18-8-9-31(14-18)22-12-20(25-21-11-19(28-29-21)16-6-7-16)26-23(27-22)17-5-3-4-15(10-17)13-24/h3-5,10-12,16,18H,6-9,14H2,1-2H3,(H2,25,26,27,28,29)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381124 (CHEMBL2017725) Show SMILES Clc1ccccc1CCNc1nccc(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C18H19ClN6/c19-14-4-2-1-3-12(14)7-9-20-18-21-10-8-16(23-18)22-17-11-15(24-25-17)13-5-6-13/h1-4,8,10-11,13H,5-7,9H2,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381130 (CHEMBL2017731) Show SMILES CN1CCC(CC1)Nc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 Show InChI InChI=1S/C22H27N7/c1-29-11-9-17(10-12-29)23-19-14-20(24-21-13-18(27-28-21)15-7-8-15)26-22(25-19)16-5-3-2-4-6-16/h2-6,13-15,17H,7-12H2,1H3,(H3,23,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381123 (CHEMBL2017724) Show SMILES Fc1cccc(CCNc2nccc(Nc3cc(n[nH]3)C3CC3)n2)c1 Show InChI InChI=1S/C18H19FN6/c19-14-3-1-2-12(10-14)6-8-20-18-21-9-7-16(23-18)22-17-11-15(24-25-17)13-4-5-13/h1-3,7,9-11,13H,4-6,8H2,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381120 (CHEMBL2017721) Show SMILES C1CC1c1cc(Nc2ccnc(NC3CCCCC3)n2)[nH]n1 Show InChI InChI=1S/C16H22N6/c1-2-4-12(5-3-1)18-16-17-9-8-14(20-16)19-15-10-13(21-22-15)11-6-7-11/h8-12H,1-7H2,(H3,17,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381117 (CHEMBL2017717) Show SMILES CS(=O)(=O)c1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C17H17N5O2S/c1-25(23,24)13-4-2-3-12(9-13)17-18-8-7-15(20-17)19-16-10-14(21-22-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381119 (CHEMBL2017719) Show SMILES N#Cc1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C17H14N6/c18-10-11-2-1-3-13(8-11)17-19-7-6-15(21-17)20-16-9-14(22-23-16)12-4-5-12/h1-3,6-9,12H,4-5H2,(H2,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381127 (CHEMBL2017728) Show SMILES CN(C)CCNc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 Show InChI InChI=1S/C20H25N7/c1-27(2)11-10-21-17-13-18(22-19-12-16(25-26-19)14-8-9-14)24-20(23-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H3,21,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381112 (CHEMBL2017712) Show SMILES C1CC1c1cc(Nc2nc(NC3CCCCC3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C20H24N6/c1-2-6-14(7-3-1)21-20-22-16-9-5-4-8-15(16)19(24-20)23-18-12-17(25-26-18)13-10-11-13/h4-5,8-9,12-14H,1-3,6-7,10-11H2,(H3,21,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381126 (CHEMBL2017727) Show SMILES C1CC1c1cc(Nc2ccnc(NC3CCCC3)n2)[nH]n1 Show InChI InChI=1S/C15H20N6/c1-2-4-11(3-1)17-15-16-8-7-13(19-15)18-14-9-12(20-21-14)10-5-6-10/h7-11H,1-6H2,(H3,16,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381128 (CHEMBL2017729) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 Show InChI InChI=1S/C21H25N7/c1-27-9-11-28(12-10-27)20-14-18(22-19-13-17(25-26-19)15-7-8-15)23-21(24-20)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H2,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381106 (CHEMBL2017870) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(Cl)ccn2)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C21H23ClN6/c1-27(2)17-9-11-28(14-17)20-13-19(24-18-12-16(22)8-10-23-18)25-21(26-20)15-6-4-3-5-7-15/h3-8,10,12-13,17H,9,11,14H2,1-2H3,(H,23,24,25,26)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381105 (CHEMBL2017720) Show SMILES C1CC1c1cc(Nc2ccnc(n2)-c2cccnc2)[nH]n1 Show InChI InChI=1S/C15H14N6/c1-2-11(9-16-6-1)15-17-7-5-13(19-15)18-14-8-12(20-21-14)10-3-4-10/h1-2,5-10H,3-4H2,(H2,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381125 (CHEMBL2017726) Show SMILES C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)C1CC1 Show InChI InChI=1S/C14H18N6/c1-2-9(1)8-16-14-15-6-5-12(18-14)17-13-7-11(19-20-13)10-3-4-10/h5-7,9-10H,1-4,8H2,(H3,15,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381110 (CHEMBL2017710) Show SMILES Fc1ccc(cc1)-c1nc(Nc2cc(n[nH]2)C2CC2)c2ccccc2n1 Show InChI InChI=1S/C20H16FN5/c21-14-9-7-13(8-10-14)19-22-16-4-2-1-3-15(16)20(24-19)23-18-11-17(25-26-18)12-5-6-12/h1-4,7-12H,5-6H2,(H2,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381118 (CHEMBL2017718) Show SMILES CS(=O)(=O)NCc1ccc(cc1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C18H20N6O2S/c1-27(25,26)20-11-12-2-4-14(5-3-12)18-19-9-8-16(22-18)21-17-10-15(23-24-17)13-6-7-13/h2-5,8-10,13,20H,6-7,11H2,1H3,(H2,19,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381107 (CHEMBL2017707) Show SMILES C1CC1c1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1 Show InChI InChI=1S/C19H16N6/c1-2-4-15-14(3-1)19(22-17-11-16(24-25-17)12-5-6-12)23-18(21-15)13-7-9-20-10-8-13/h1-4,7-12H,5-6H2,(H2,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	322	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381121 (CHEMBL2017722) Show SMILES CC(C)CCNc1nccc(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C15H22N6/c1-10(2)5-7-16-15-17-8-6-13(19-15)18-14-9-12(20-21-14)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3,(H3,16,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	354	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381114 (CHEMBL2017714) Show SMILES Fc1ccc(cc1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C16H14FN5/c17-12-5-3-11(4-6-12)16-18-8-7-14(20-16)19-15-9-13(21-22-15)10-1-2-10/h3-10H,1-2H2,(H2,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381115 (CHEMBL2017715) Show SMILES NC(=O)c1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C17H16N6O/c18-16(24)11-2-1-3-12(8-11)17-19-7-6-14(21-17)20-15-9-13(22-23-15)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,24)(H2,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381116 (CHEMBL2017716) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C17H18N6O2S/c1-26(24,25)23-13-4-2-3-12(9-13)17-18-8-7-15(20-17)19-16-10-14(21-22-16)11-5-6-11/h2-4,7-11,23H,5-6H2,1H3,(H2,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381113 (CHEMBL2017713) Show SMILES C(Nc1nc(Nc2cc(n[nH]2)C2CC2)c2ccccc2n1)C1CC1 Show InChI InChI=1S/C18H20N6/c1-2-4-14-13(3-1)17(22-18(20-14)19-10-11-5-6-11)21-16-9-15(23-24-16)12-7-8-12/h1-4,9,11-12H,5-8,10H2,(H3,19,20,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	428	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381111 (CHEMBL2017711) Show SMILES C1CC1c1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI InChI=1S/C20H17N5/c1-2-6-14(7-3-1)19-21-16-9-5-4-8-15(16)20(23-19)22-18-12-17(24-25-18)13-10-11-13/h1-9,12-13H,10-11H2,(H2,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381108 (CHEMBL2017708) Show SMILES Fc1ccc(cc1)-c1nc(Nc2ccn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C17H12FN5/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(22-16)21-15-9-10-19-23-15/h1-10H,(H2,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	453	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381122 (CHEMBL2017723) Show SMILES C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 Show InChI InChI=1S/C17H18N6/c1-2-4-12(5-3-1)11-19-17-18-9-8-15(21-17)20-16-10-14(22-23-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,18,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	715	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381138 (CHEMBL2017739) Show SMILES COc1ccnc(Nc2cc(nc(n2)-c2ccccc2)N2CC[C@H](C2)N(C)C)c1 |r| Show InChI InChI=1S/C22H26N6O/c1-27(2)17-10-12-28(15-17)21-14-20(24-19-13-18(29-3)9-11-23-19)25-22(26-21)16-7-5-4-6-8-16/h4-9,11,13-14,17H,10,12,15H2,1-3H3,(H,23,24,25,26)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381109 (CHEMBL2017709) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccc(F)cc2)[nH]n1 Show InChI InChI=1S/C18H14FN5/c1-11-10-16(24-23-11)21-18-14-4-2-3-5-15(14)20-17(22-18)12-6-8-13(19)9-7-12/h2-10H,1H3,(H2,20,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50293701 (CHEMBL549536 | N-(5-methyl-1H-pyrazol-3-yl)-2-(pyr...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1 Show InChI InChI=1S/C17H14N6/c1-11-10-15(23-22-11)20-17-13-4-2-3-5-14(13)19-16(21-17)12-6-8-18-9-7-12/h2-10H,1H3,(H2,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50381137 (CHEMBL2017738) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2ccccn2)nc(n1)-c1cccc(c1)C#N |r| Show InChI InChI=1S/C22H23N7/c1-28(2)18-9-11-29(15-18)21-13-20(25-19-8-3-4-10-24-19)26-22(27-21)17-7-5-6-16(12-17)14-23/h3-8,10,12-13,18H,9,11,15H2,1-2H3,(H,24,25,26,27)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
MRC Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins				Bioorg Med Chem Lett 22: 3349-53 (2012) Article DOI: 10.1016/j.bmcl.2012.02.107 BindingDB Entry DOI: 10.7270/Q22Z16JX
					More data for this Ligand-Target Pair