Found 55 hits of ic50 for UniProtKB: P9WI81 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | 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 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 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 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 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 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 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 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 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 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 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 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) | BDBM50421673
(CHEMBL5283441)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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 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) | BDBM50421686
(CHEMBL5282194)Show SMILES COc1cc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc(OC)c1OC Show InChI InChI=1S/C23H28N4O6/c1-28-16-9-14(10-17(29-2)20(16)32-5)12-33-21-18(30-3)7-13(8-19(21)31-4)6-15-11-26-23(25)27-22(15)24/h7-11H,6,12H2,1-5H3,(H4,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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 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) | BDBM50293150
(CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421679
(CHEMBL5282708)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C27H31N5O5/c1-35-21-14-17(13-18-16-30-27(29)31-24(18)28)15-22(36-2)23(21)37-12-8-4-3-7-11-32-25(33)19-9-5-6-10-20(19)26(32)34/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H4,28,29,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421671
(CHEMBL5266831)Show InChI InChI=1S/C16H22N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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 | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421672
(CHEMBL5316225)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421685
(CHEMBL5280226)Show InChI InChI=1S/C16H23N5O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6,17H2,1-2H3,(H4,18,19,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421687
(CHEMBL5277580)Show InChI InChI=1S/C17H24N4O3/c1-4-5-6-24-15-13(22-2)8-11(9-14(15)23-3)7-12-10-20-17(19)21-16(12)18/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421681
(CHEMBL5273566)Show InChI InChI=1S/C16H22N4O5/c1-23-12-4-9(3-10-6-19-16(18)20-15(10)17)5-13(24-2)14(12)25-8-11(22)7-21/h4-6,11,21-22H,3,7-8H2,1-2H3,(H4,17,18,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421683
(CHEMBL5283041)Show InChI InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421676
(CHEMBL5283475)Show InChI InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421680
(CHEMBL5277737)Show InChI InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421682
(CHEMBL5285809)Show InChI InChI=1S/C16H21ClN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PknB
(Mycobacterium tuberculosis) | BDBM50421684
(CHEMBL5277619)Show InChI InChI=1S/C19H29N5O3/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(26-2)17(15)27-8-6-4-3-5-7-20/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |