Found 93 hits with Last Name = 'stokes' and Initial = 'nr' 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 |
|---|
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494813
(CHEMBL3094348)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1ccc(nc1)C(O)=O Show InChI InChI=1S/C21H17N5O3S/c1-2-22-20(29)26-21-25-17-10-13(12-6-7-16(19(27)28)24-11-12)9-14(18(17)30-21)15-5-3-4-8-23-15/h3-11H,2H2,1H3,(H,27,28)(H2,22,25,26,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.38 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50463770
(CHEMBL4238919)Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(6-24-20(30)14-8-31-9-25-14)27-19(16)29-3-2-11(22)7-29/h4-5,8-9,11,23H,2-3,6-7,22H2,1H3,(H,24,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494804
(CHEMBL3094361)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCCC1(C)C(O)=O Show InChI InChI=1S/C25H25N7O3S/c1-3-26-23(35)31-24-30-19-12-15(11-17(20(19)36-24)18-7-4-5-9-27-18)16-13-28-22(29-14-16)32-10-6-8-25(32,2)21(33)34/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3,(H,33,34)(H2,26,30,31,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.93 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50463771
(CHEMBL4250651)Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cnco3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(7-25-20(30)14-6-24-9-31-14)27-19(16)29-3-2-11(22)8-29/h4-6,9,11,23H,2-3,7-8,22H2,1H3,(H,25,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494814
(CHEMBL3094364)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCCC(C)(CC1)C(O)=O Show InChI InChI=1S/C27H29N7O3S/c1-3-28-25(37)33-26-32-21-14-17(13-19(22(21)38-26)20-7-4-5-10-29-20)18-15-30-24(31-16-18)34-11-6-8-27(2,9-12-34)23(35)36/h4-5,7,10,13-16H,3,6,8-9,11-12H2,1-2H3,(H,35,36)(H2,28,32,33,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50494811
(CHEMBL3094350)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC2/ParE2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494811
(CHEMBL3094350)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494806
(CHEMBL3094349)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C25H25N7O3S/c1-2-26-24(35)31-25-30-20-12-16(11-18(21(20)36-25)19-5-3-4-8-27-19)17-13-28-23(29-14-17)32-9-6-15(7-10-32)22(33)34/h3-5,8,11-15H,2,6-7,9-10H2,1H3,(H,33,34)(H2,26,30,31,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494810
(CHEMBL3094351)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC)(CC1)C(O)=O Show InChI InChI=1S/C27H29N7O3S/c1-3-27(23(35)36)8-11-34(12-9-27)24-30-15-18(16-31-24)17-13-19(20-7-5-6-10-29-20)22-21(14-17)32-26(38-22)33-25(37)28-4-2/h5-7,10,13-16H,3-4,8-9,11-12H2,1-2H3,(H,35,36)(H2,28,32,33,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494805
(CHEMBL3094357)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1ccc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C27H28N6O3S/c1-3-28-25(36)32-26-31-21-15-18(14-19(23(21)37-26)20-6-4-5-11-29-20)17-7-8-22(30-16-17)33-12-9-27(2,10-13-33)24(34)35/h4-8,11,14-16H,3,9-10,12-13H2,1-2H3,(H,34,35)(H2,28,31,32,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50494806
(CHEMBL3094349)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C25H25N7O3S/c1-2-26-24(35)31-25-30-20-12-16(11-18(21(20)36-25)19-5-3-4-8-27-19)17-13-28-23(29-14-17)32-9-6-15(7-10-32)22(33)34/h3-5,8,11-15H,2,6-7,9-10H2,1H3,(H,33,34)(H2,26,30,31,35) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC2/ParE2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50463770
(CHEMBL4238919)Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(6-24-20(30)14-8-31-9-25-14)27-19(16)29-3-2-11(22)7-29/h4-5,8-9,11,23H,2-3,6-7,22H2,1H3,(H,24,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494802
(CHEMBL3094353)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(CC1)(C(O)=O)C(F)(F)F Show InChI InChI=1S/C26H24F3N7O3S/c1-2-30-23(39)35-24-34-19-12-15(11-17(20(19)40-24)18-5-3-4-8-31-18)16-13-32-22(33-14-16)36-9-6-25(7-10-36,21(37)38)26(27,28)29/h3-5,8,11-14H,2,6-7,9-10H2,1H3,(H,37,38)(H2,30,34,35,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494809
(CHEMBL3094359)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cncc(c1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C27H28N6O3S/c1-3-29-25(36)32-26-31-22-14-17(13-20(23(22)37-26)21-6-4-5-9-30-21)18-12-19(16-28-15-18)33-10-7-27(2,8-11-33)24(34)35/h4-6,9,12-16H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,29,31,32,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600005
(CHEMBL5195268)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(ccc2ccc1=O)C#N |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494812
(CHEMBL3094347)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cccnc1 Show InChI InChI=1S/C20H17N5OS/c1-2-22-19(26)25-20-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)27-20)16-7-3-4-9-23-16/h3-12H,2H2,1H3,(H2,22,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494803
(CHEMBL3094358)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(cn1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-19-13-16(12-17(22(19)37-25)18-6-4-5-9-28-18)20-14-30-21(15-29-20)33-10-7-26(2,8-11-33)23(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM21690
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600003
(CHEMBL5201228)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50463771
(CHEMBL4250651)Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cnco3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(7-25-20(30)14-6-24-9-31-14)27-19(16)29-3-2-11(22)8-29/h4-6,9,11,23H,2-3,7-8,22H2,1H3,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50050549
(GSK2140944 | Gepotidacin)Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494807
(CHEMBL3094362)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(C1)C(O)=O Show InChI InChI=1S/C25H25N7O3S/c1-3-26-23(35)31-24-30-19-11-15(10-17(20(19)36-24)18-6-4-5-8-27-18)16-12-28-22(29-13-16)32-9-7-25(2,14-32)21(33)34/h4-6,8,10-13H,3,7,9,14H2,1-2H3,(H,33,34)(H2,26,30,31,35) | PDB
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| PC cid
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| Article
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| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600006
(CHEMBL5172158)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r| | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600007
(CHEMBL5182200)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50494808
(CHEMBL3094360)Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1nc(ns1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C24H25N7O3S2/c1-3-25-22(34)29-23-27-17-13-14(12-15(18(17)35-23)16-6-4-5-9-26-16)19-28-21(30-36-19)31-10-7-24(2,8-11-31)20(32)33/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H,32,33)(H2,25,27,29,34) | PDB
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| PC cid
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| Article
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| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Biota Holdings Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay |
Bioorg Med Chem Lett 23: 6598-603 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ |
More data for this
Ligand-Target Pair | |
Cell division protein FtsZ
(Staphylococcus aureus) | BDBM50079356
(CHEMBL511201)Show InChI InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21) | PDB
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| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Prolysis
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus FtsZ GTPase activity |
Science 321: 1673-5 (2008)
Article DOI: 10.1126/science.1159961
BindingDB Entry DOI: 10.7270/Q2HX1GG1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB
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Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600004
(CHEMBL5184104)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(OC)cnc2ccc1=O |r| | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600009
(CHEMBL5177076)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(cnc2ccc1=O)C#N |r| | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600008
(CHEMBL5198597)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(OC)cnc2ccc1=O |r| | PDB
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KEGG
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB
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Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB
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Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50553248
(CHEMBL4787847)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cnc2[nH]ncc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50553250
(CHEMBL4786331)Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r| | PDB
MMDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate incubated for 30 mins by ethidium bromide staining based gel electro... |
Citation and Details
Article DOI: 10.1039/d0md00175a
BindingDB Entry DOI: 10.7270/Q2RV0SB2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50553248
(CHEMBL4787847)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cnc2[nH]ncc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600011
(CHEMBL5205047)Show SMILES [H][C@@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600007
(CHEMBL5182200)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600003
(CHEMBL5201228)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600010
(CHEMBL5184352)Show SMILES [H][C@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50553250
(CHEMBL4786331)Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Staphylococcus aureus topoisomerase IV using kDNA as substrate incubated for 30 mins by ethidium bromide staining based gel electrophor... |
Citation and Details
Article DOI: 10.1039/d0md00175a
BindingDB Entry DOI: 10.7270/Q2RV0SB2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600013
(CHEMBL5194618)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ncc1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600018
(CHEMBL5199405)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(ccc2ccc1=O)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG |
Citation and Details
Article DOI: 10.1039/d0md00174k
BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600014
(CHEMBL5172094)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)cnc2ccc1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this
Ligand-Target Pair | |
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