Found 92 hits with Last Name = 'zaniewski' and Initial = 'r' 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 |
|---|
Penicillin-binding protein 1A
(Pseudomonas aeruginosa PAO1) | BDBM50012177
(CHEMBL3265226)Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](N2C(=O)c3cc(O)c(O)cc3C2=O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C25H22N6O14S/c1-24(2,21(39)40)45-29-15(11-7-46-23(26)28-11)16(34)27-10-6-43-31(19(10)37)25(22(41)42)5-12(20(38)44-25)30-17(35)8-3-13(32)14(33)4-9(8)18(30)36/h3-4,7,10,12,32-33H,5-6H2,1-2H3,(H2,26,28)(H,27,34)(H,39,40)(H,41,42)/b29-15-/t10-,12-,25?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co... |
J Med Chem 57: 3845-55 (2014)
Article DOI: 10.1021/jm500219c
BindingDB Entry DOI: 10.7270/Q2SJ1N5R |
More data for this
Ligand-Target Pair | |
Penicillin-binding protein 1A
(Pseudomonas aeruginosa PAO1) | BDBM50012178
(CHEMBL3265220)Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(CCC(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C17H19N5O10S/c1-16(2,13(26)27)32-21-10(8-6-33-15(18)20-8)11(24)19-7-5-30-22(12(7)25)17(14(28)29)4-3-9(23)31-17/h6-7H,3-5H2,1-2H3,(H2,18,20)(H,19,24)(H,26,27)(H,28,29)/b21-10-/t7-,17?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co... |
J Med Chem 57: 3845-55 (2014)
Article DOI: 10.1021/jm500219c
BindingDB Entry DOI: 10.7270/Q2SJ1N5R |
More data for this
Ligand-Target Pair | |
Penicillin-binding protein 1A
(Pseudomonas aeruginosa PAO1) | BDBM50012179
(CHEMBL3265221)Show SMILES Nc1nc(cs1)C(=N\OCc1cc(=O)c(O)cn1O)\C(=O)N[C@H]1CON(C1=O)C1(CCC(=O)O1)C(O)=O |r| Show InChI InChI=1S/C19H18N6O11S/c20-18-22-10(7-37-18)14(23-34-5-8-3-11(26)12(27)4-24(8)33)15(29)21-9-6-35-25(16(9)30)19(17(31)32)2-1-13(28)36-19/h3-4,7,9,27,33H,1-2,5-6H2,(H2,20,22)(H,21,29)(H,31,32)/b23-14-/t9-,19?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co... |
J Med Chem 57: 3845-55 (2014)
Article DOI: 10.1021/jm500219c
BindingDB Entry DOI: 10.7270/Q2SJ1N5R |
More data for this
Ligand-Target Pair | |
Penicillin-binding protein 1A
(Pseudomonas aeruginosa PAO1) | BDBM50012180
(CHEMBL3265224)Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@@H](NC(=O)c2cc(=O)c(O)cn2O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C23H23N7O14S/c1-22(2,19(37)38)44-28-14(10-7-45-21(24)27-10)16(34)26-9-6-42-30(17(9)35)23(20(39)40)4-8(18(36)43-23)25-15(33)11-3-12(31)13(32)5-29(11)41/h3,5,7-9,32,41H,4,6H2,1-2H3,(H2,24,27)(H,25,33)(H,26,34)(H,37,38)(H,39,40)/b28-14-/t8-,9+,23?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co... |
J Med Chem 57: 3845-55 (2014)
Article DOI: 10.1021/jm500219c
BindingDB Entry DOI: 10.7270/Q2SJ1N5R |
More data for this
Ligand-Target Pair | |
Penicillin-binding protein 1A
(Pseudomonas aeruginosa PAO1) | BDBM50012181
(CHEMBL3265225)Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](NC(=O)c2cc(=O)c(O)cn2O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C23H23N7O14S/c1-22(2,19(37)38)44-28-14(10-7-45-21(24)27-10)16(34)26-9-6-42-30(17(9)35)23(20(39)40)4-8(18(36)43-23)25-15(33)11-3-12(31)13(32)5-29(11)41/h3,5,7-9,32,41H,4,6H2,1-2H3,(H2,24,27)(H,25,33)(H,26,34)(H,37,38)(H,39,40)/b28-14-/t8-,9-,23?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co... |
J Med Chem 57: 3845-55 (2014)
Article DOI: 10.1021/jm500219c
BindingDB Entry DOI: 10.7270/Q2SJ1N5R |
More data for this
Ligand-Target Pair | |
Penicillin-binding protein 1A
(Pseudomonas aeruginosa PAO1) | BDBM50012182
(CHEMBL3265223)Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](NC(=O)OCc2ccccc2)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C25H26N6O12S/c1-24(2,20(35)36)43-30-16(15-11-44-22(26)28-15)17(32)27-14-10-41-31(18(14)33)25(21(37)38)8-13(19(34)42-25)29-23(39)40-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,26,28)(H,27,32)(H,29,39)(H,35,36)(H,37,38)/b30-16-/t13-,14-,25?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co... |
J Med Chem 57: 3845-55 (2014)
Article DOI: 10.1021/jm500219c
BindingDB Entry DOI: 10.7270/Q2SJ1N5R |
More data for this
Ligand-Target Pair | |
Penicillin-binding protein 1A
(Pseudomonas aeruginosa PAO1) | BDBM50012183
(CHEMBL3265222)Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C25H26N6O12S/c1-24(2,20(35)36)43-30-16(15-11-44-22(26)28-15)17(32)27-14-10-41-31(18(14)33)25(21(37)38)8-13(19(34)42-25)29-23(39)40-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,26,28)(H,27,32)(H,29,39)(H,35,36)(H,37,38)/b30-16-/t13-,14+,25?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co... |
J Med Chem 57: 3845-55 (2014)
Article DOI: 10.1021/jm500219c
BindingDB Entry DOI: 10.7270/Q2SJ1N5R |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50254142
(CHEMBL2382287)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3)c2c1 |r,wU:10.10,14.13,19.20,(27.36,-12.97,;28.69,-12.2,;30.02,-12.97,;30.02,-14.51,;31.36,-15.28,;32.69,-14.5,;34.03,-15.27,;35.36,-14.5,;35.35,-12.95,;34.01,-12.19,;34.01,-10.65,;32.67,-9.88,;35.34,-9.87,;36.67,-10.63,;38,-9.86,;39.34,-10.63,;40.66,-9.86,;40.66,-8.32,;39.33,-7.55,;37.99,-8.32,;36.65,-7.56,;35.32,-8.34,;36.64,-6.02,;42,-7.54,;43.48,-7.92,;43.88,-6.42,;42.41,-6.04,;45.2,-5.64,;46.54,-6.4,;47.87,-5.63,;47.86,-4.08,;46.51,-3.32,;45.19,-4.11,;32.69,-12.96,;31.35,-12.2,)| Show InChI InChI=1S/C29H34N2O4/c1-35-23-8-9-27-25(17-23)24(11-13-30-27)28(32)10-7-20-12-14-31(18-26(20)29(33)34)22-15-21(16-22)19-5-3-2-4-6-19/h2-6,8-9,11,13,17,20-22,26,28,32H,7,10,12,14-16,18H2,1H3,(H,33,34)/t20-,21?,22?,26+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491376
(CHEMBL2382359)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)ccc(F)c3F)c2c1 |r,wU:10.10,14.13,19.20,(19.96,-13.07,;21.29,-12.3,;22.63,-13.07,;22.62,-14.61,;23.96,-15.38,;25.29,-14.6,;26.63,-15.37,;27.96,-14.6,;27.95,-13.05,;26.62,-12.29,;26.61,-10.75,;25.27,-9.98,;27.94,-9.97,;29.28,-10.73,;30.61,-9.95,;31.94,-10.73,;33.27,-9.96,;33.27,-8.41,;31.93,-7.65,;30.59,-8.42,;29.25,-7.66,;27.92,-8.43,;29.25,-6.12,;34.6,-7.64,;36.09,-8.02,;36.48,-6.51,;35.02,-6.13,;37.8,-5.74,;39.14,-6.5,;39.15,-8.04,;40.47,-5.72,;40.46,-4.18,;39.11,-3.42,;39.09,-1.88,;37.79,-4.21,;36.45,-3.45,;25.29,-13.06,;23.95,-12.3,)| Show InChI InChI=1S/C29H31F3N2O4/c1-38-19-3-6-25-21(14-19)20(8-10-33-25)26(35)7-2-16-9-11-34(15-22(16)29(36)37)18-12-17(13-18)27-23(30)4-5-24(31)28(27)32/h3-6,8,10,14,16-18,22,26,35H,2,7,9,11-13,15H2,1H3,(H,36,37)/t16-,17?,18?,22+,26+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491378
(CHEMBL2382356)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)c(F)cc3F)c2c1 |r,wU:10.10,14.13,19.20,(34.17,-26.91,;35.51,-26.14,;36.84,-26.91,;36.84,-28.46,;38.17,-29.23,;39.51,-28.45,;40.84,-29.21,;42.18,-28.44,;42.17,-26.89,;40.83,-26.13,;40.82,-24.59,;39.48,-23.83,;42.15,-23.81,;43.49,-24.58,;44.82,-23.8,;46.15,-24.57,;47.48,-23.8,;47.48,-22.26,;46.14,-21.49,;44.81,-22.27,;43.47,-21.5,;42.14,-22.28,;43.46,-19.96,;48.81,-21.49,;50.3,-21.86,;50.69,-20.36,;49.23,-19.98,;52.02,-19.58,;53.36,-20.35,;54.68,-19.57,;56.02,-20.33,;54.67,-18.03,;56,-17.25,;53.32,-17.27,;52,-18.05,;50.66,-17.29,;39.5,-26.9,;38.17,-26.14,)| Show InChI InChI=1S/C29H31F3N2O4/c1-38-19-3-4-27-22(12-19)20(6-8-33-27)28(35)5-2-16-7-9-34(15-23(16)29(36)37)18-10-17(11-18)21-13-25(31)26(32)14-24(21)30/h3-4,6,8,12-14,16-18,23,28,35H,2,5,7,9-11,15H2,1H3,(H,36,37)/t16-,17?,18?,23+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491350
(CHEMBL2382342)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cccc(F)c3)c2c1 |r,wU:10.10,14.13,19.20,(9.65,-11.39,;10.99,-10.62,;12.32,-11.39,;12.32,-12.93,;13.65,-13.7,;14.99,-12.92,;16.32,-13.69,;17.66,-12.92,;17.65,-11.37,;16.31,-10.61,;16.3,-9.07,;14.97,-8.31,;17.63,-8.29,;18.97,-9.05,;20.3,-8.28,;21.64,-9.05,;22.96,-8.28,;22.96,-6.74,;21.62,-5.97,;20.29,-6.74,;18.95,-5.98,;17.62,-6.76,;18.94,-4.44,;24.29,-5.97,;25.78,-6.34,;26.18,-4.84,;24.71,-4.46,;27.5,-4.06,;28.84,-4.82,;30.16,-4.05,;30.15,-2.5,;28.81,-1.74,;28.79,-.2,;27.48,-2.53,;14.99,-11.38,;13.65,-10.62,)| Show InChI InChI=1S/C29H33FN2O4/c1-36-23-6-7-27-25(16-23)24(9-11-31-27)28(33)8-5-18-10-12-32(17-26(18)29(34)35)22-14-20(15-22)19-3-2-4-21(30)13-19/h2-4,6-7,9,11,13,16,18,20,22,26,28,33H,5,8,10,12,14-15,17H2,1H3,(H,34,35)/t18-,20?,22?,26+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491367
(CHEMBL2382372)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)cc(F)c3F)c2c1 |r,wU:10.10,14.13,19.20,(6.38,-22.44,;7.71,-21.66,;9.05,-22.43,;9.04,-23.98,;10.38,-24.75,;11.71,-23.97,;13.05,-24.74,;14.38,-23.96,;14.37,-22.41,;13.04,-21.65,;13.03,-20.11,;11.69,-19.35,;14.36,-19.34,;15.69,-20.1,;17.02,-19.32,;18.36,-20.09,;19.69,-19.32,;19.68,-17.78,;18.35,-17.02,;17.01,-17.79,;15.67,-17.03,;14.34,-17.8,;15.66,-15.49,;21.02,-17.01,;22.51,-17.39,;22.9,-15.88,;21.43,-15.5,;24.22,-15.11,;25.56,-15.87,;26.89,-15.09,;28.23,-15.85,;26.88,-13.55,;25.53,-12.79,;25.51,-11.25,;24.21,-13.57,;22.87,-12.82,;11.71,-22.43,;10.37,-21.66,)| Show InChI InChI=1S/C29H31F3N2O4/c1-38-20-3-4-26-23(14-20)21(6-8-33-26)27(35)5-2-16-7-9-34(15-24(16)29(36)37)19-10-17(11-19)22-12-18(30)13-25(31)28(22)32/h3-4,6,8,12-14,16-17,19,24,27,35H,2,5,7,9-11,15H2,1H3,(H,36,37)/t16-,17?,19?,24+,27+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491365
(CHEMBL2382380)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(OC)ccc(F)c3F)c2c1 |r,wU:10.10,14.13,19.20,(14.18,-25.5,;15.51,-24.73,;16.85,-25.5,;16.85,-27.05,;18.18,-27.82,;19.51,-27.04,;20.85,-27.81,;22.18,-27.03,;22.17,-25.48,;20.84,-24.72,;20.83,-23.18,;19.49,-22.42,;22.16,-22.41,;23.5,-23.17,;24.83,-22.39,;26.16,-23.16,;27.49,-22.39,;27.49,-20.85,;26.15,-20.08,;24.81,-20.86,;23.48,-20.1,;22.15,-20.87,;23.47,-18.56,;28.82,-20.08,;30.31,-20.46,;30.7,-18.95,;29.24,-18.57,;32.02,-18.18,;33.36,-18.94,;33.37,-20.48,;34.71,-21.24,;34.69,-18.16,;34.68,-16.62,;33.33,-15.86,;33.31,-14.32,;32.01,-16.64,;30.67,-15.89,;19.51,-25.5,;18.18,-24.73,)| Show InChI InChI=1S/C30H34F2N2O5/c1-38-20-4-6-25-22(15-20)21(9-11-33-25)26(35)7-3-17-10-12-34(16-23(17)30(36)37)19-13-18(14-19)28-27(39-2)8-5-24(31)29(28)32/h4-6,8-9,11,15,17-19,23,26,35H,3,7,10,12-14,16H2,1-2H3,(H,36,37)/t17-,18?,19?,23+,26+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491344
(CHEMBL2382354)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(C)ccc3F)c2c1 |r,wU:10.10,14.13,19.20,(-2.57,-27.21,;-1.23,-26.44,;.11,-27.21,;.1,-28.75,;1.44,-29.52,;2.77,-28.74,;4.11,-29.51,;5.44,-28.74,;5.43,-27.19,;4.1,-26.43,;4.09,-24.89,;2.75,-24.12,;5.42,-24.11,;6.76,-24.87,;8.09,-24.1,;9.42,-24.87,;10.75,-24.1,;10.75,-22.56,;9.41,-21.79,;8.07,-22.56,;6.73,-21.8,;5.4,-22.58,;6.73,-20.26,;12.08,-21.78,;13.57,-22.16,;13.96,-20.65,;12.5,-20.27,;15.28,-19.88,;16.62,-20.64,;17.95,-19.86,;19.29,-20.63,;17.94,-18.32,;16.59,-17.56,;15.27,-18.35,;13.93,-17.59,;2.77,-27.2,;1.44,-26.44,)| Show InChI InChI=1S/C30H35FN2O4/c1-18-3-6-27(31)24(13-18)20-14-21(15-20)33-12-10-19(26(17-33)30(35)36)4-8-29(34)23-9-11-32-28-7-5-22(37-2)16-25(23)28/h3,5-7,9,11,13,16,19-21,26,29,34H,4,8,10,12,14-15,17H2,1-2H3,(H,35,36)/t19-,20?,21?,26+,29+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491339
(CHEMBL2382364)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)cc(F)c3)c2c1 |r,wU:10.10,14.13,19.20,(13.77,-16.18,;15.11,-15.41,;16.44,-16.18,;16.44,-17.72,;17.77,-18.49,;19.11,-17.72,;20.44,-18.48,;21.78,-17.71,;21.77,-16.16,;20.43,-15.4,;20.42,-13.86,;19.09,-13.1,;21.75,-13.08,;23.09,-13.84,;24.42,-13.07,;25.76,-13.84,;27.08,-13.07,;27.08,-11.53,;25.74,-10.76,;24.41,-11.53,;23.07,-10.77,;21.74,-11.55,;23.06,-9.23,;28.41,-10.76,;29.9,-11.13,;30.29,-9.63,;28.83,-9.25,;31.62,-8.85,;31.6,-7.32,;32.92,-6.53,;32.91,-5,;34.27,-7.29,;34.28,-8.84,;35.62,-9.6,;32.96,-9.61,;19.11,-16.17,;17.77,-15.41,)| Show InChI InChI=1S/C29H32F2N2O4/c1-37-23-3-4-27-25(15-23)24(6-8-32-27)28(34)5-2-17-7-9-33(16-26(17)29(35)36)22-12-19(13-22)18-10-20(30)14-21(31)11-18/h3-4,6,8,10-11,14-15,17,19,22,26,28,34H,2,5,7,9,12-13,16H2,1H3,(H,35,36)/t17-,19?,22?,26+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491336
(CHEMBL2382370)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(Cl)ccc3F)c2c1 |r,wU:10.10,14.13,19.20,(8.31,-17.12,;9.64,-16.35,;10.98,-17.12,;10.97,-18.67,;12.31,-19.44,;13.64,-18.66,;14.98,-19.43,;16.31,-18.65,;16.3,-17.1,;14.97,-16.34,;14.96,-14.8,;13.62,-14.04,;16.29,-14.03,;17.62,-14.79,;18.95,-14.01,;20.29,-14.78,;21.62,-14.01,;21.61,-12.47,;20.28,-11.7,;18.94,-12.48,;17.6,-11.71,;16.27,-12.49,;17.59,-10.17,;22.95,-11.7,;24.43,-12.08,;24.83,-10.57,;23.36,-10.19,;26.15,-9.79,;27.49,-10.56,;28.82,-9.78,;30.16,-10.54,;28.81,-8.24,;27.46,-7.48,;26.14,-8.26,;24.8,-7.5,;13.64,-17.12,;12.3,-16.35,)| Show InChI InChI=1S/C29H32ClFN2O4/c1-37-21-4-6-27-24(15-21)22(8-10-32-27)28(34)7-2-17-9-11-33(16-25(17)29(35)36)20-12-18(13-20)23-14-19(30)3-5-26(23)31/h3-6,8,10,14-15,17-18,20,25,28,34H,2,7,9,11-13,16H2,1H3,(H,35,36)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491335
(CHEMBL2382373)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cccc(F)c3F)c2c1 |r,wU:10.10,14.13,19.20,(23.2,-21.91,;24.53,-21.14,;25.87,-21.91,;25.87,-23.45,;27.2,-24.22,;28.53,-23.44,;29.87,-24.21,;31.2,-23.44,;31.2,-21.89,;29.86,-21.13,;29.85,-19.59,;28.51,-18.82,;31.18,-18.81,;32.52,-19.57,;33.85,-18.79,;35.18,-19.57,;36.51,-18.8,;36.51,-17.25,;35.17,-16.49,;33.83,-17.26,;32.5,-16.5,;31.17,-17.27,;32.49,-14.96,;37.84,-16.48,;39.33,-16.86,;39.72,-15.35,;38.26,-14.97,;41.04,-14.58,;42.38,-15.34,;43.71,-14.56,;43.7,-13.02,;42.35,-12.26,;42.34,-10.72,;41.03,-13.05,;39.69,-12.29,;28.53,-21.9,;27.2,-21.14,)| Show InChI InChI=1S/C29H32F2N2O4/c1-37-20-6-7-26-23(15-20)22(9-11-32-26)27(34)8-5-17-10-12-33(16-24(17)29(35)36)19-13-18(14-19)21-3-2-4-25(30)28(21)31/h2-4,6-7,9,11,15,17-19,24,27,34H,5,8,10,12-14,16H2,1H3,(H,35,36)/t17-,18?,19?,24+,27+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491333
(CHEMBL2382378)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3C(F)(F)F)c2c1 |r,wU:10.10,14.13,19.20,(51.31,-13.87,;52.64,-13.1,;53.97,-13.87,;53.97,-15.41,;55.31,-16.18,;56.64,-15.4,;57.97,-16.17,;59.31,-15.39,;59.3,-13.85,;57.96,-13.09,;57.95,-11.55,;56.62,-10.78,;59.28,-10.77,;60.62,-11.53,;61.95,-10.75,;63.29,-11.53,;64.61,-10.75,;64.61,-9.21,;63.28,-8.45,;61.94,-9.22,;60.6,-8.46,;59.27,-9.23,;60.59,-6.92,;65.95,-8.44,;67.43,-8.82,;67.83,-7.31,;66.36,-6.93,;69.15,-6.54,;70.49,-7.3,;71.82,-6.52,;71.81,-4.98,;70.46,-4.22,;69.14,-5,;67.79,-4.25,;67.78,-2.71,;66.47,-5.03,;66.45,-3.47,;56.64,-13.86,;55.3,-13.09,)| Show InChI InChI=1S/C30H33F3N2O4/c1-39-21-7-8-27-24(16-21)23(10-12-34-27)28(36)9-6-18-11-13-35(17-25(18)29(37)38)20-14-19(15-20)22-4-2-3-5-26(22)30(31,32)33/h2-5,7-8,10,12,16,18-20,25,28,36H,6,9,11,13-15,17H2,1H3,(H,37,38)/t18-,19?,20?,25+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491332
(CHEMBL2382379)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3C)c2c1 |r,wU:10.10,14.13,19.20,(4.12,-25.14,;5.47,-24.37,;6.8,-25.14,;6.8,-26.68,;8.13,-27.45,;9.47,-26.68,;10.8,-27.44,;12.14,-26.67,;12.13,-25.12,;10.79,-24.36,;10.78,-22.82,;9.45,-22.06,;12.11,-22.04,;13.45,-22.8,;14.78,-22.03,;16.12,-22.8,;17.44,-22.03,;17.44,-20.49,;16.1,-19.72,;14.77,-20.49,;13.43,-19.73,;12.1,-20.51,;13.42,-18.19,;18.77,-19.72,;20.26,-20.09,;20.66,-18.59,;19.19,-18.21,;21.98,-17.81,;23.32,-18.58,;24.65,-17.8,;25.98,-18.56,;24.63,-16.26,;23.29,-15.5,;21.96,-16.28,;20.62,-15.52,;9.47,-25.13,;8.13,-24.37,)| Show InChI InChI=1S/C30H35FN2O4/c1-18-3-5-21(31)15-25(18)20-13-22(14-20)33-12-10-19(27(17-33)30(35)36)4-8-29(34)24-9-11-32-28-7-6-23(37-2)16-26(24)28/h3,5-7,9,11,15-16,19-20,22,27,29,34H,4,8,10,12-14,17H2,1-2H3,(H,35,36)/t19-,20?,22?,27+,29+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491343
(CHEMBL2382355)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cccc(Cl)c3F)c2c1 |r,wU:10.10,14.13,19.20,(14.88,-27.49,;16.22,-26.72,;17.55,-27.49,;17.55,-29.04,;18.88,-29.81,;20.22,-29.03,;21.55,-29.8,;22.89,-29.02,;22.88,-27.47,;21.54,-26.71,;21.53,-25.17,;20.2,-24.41,;22.86,-24.4,;24.2,-25.16,;25.53,-24.38,;26.87,-25.15,;28.19,-24.38,;28.19,-22.84,;26.85,-22.08,;25.52,-22.85,;24.18,-22.09,;22.85,-22.86,;24.17,-20.55,;29.52,-22.07,;31.01,-22.45,;31.4,-20.94,;29.94,-20.56,;32.73,-20.17,;34.07,-20.93,;35.39,-20.15,;35.38,-18.61,;34.03,-17.85,;34.02,-16.31,;32.71,-18.63,;31.37,-17.88,;20.22,-27.49,;18.88,-26.72,)| Show InChI InChI=1S/C29H32ClFN2O4/c1-37-20-6-7-26-23(15-20)22(9-11-32-26)27(34)8-5-17-10-12-33(16-24(17)29(35)36)19-13-18(14-19)21-3-2-4-25(30)28(21)31/h2-4,6-7,9,11,15,17-19,24,27,34H,5,8,10,12-14,16H2,1H3,(H,35,36)/t17-,18?,19?,24+,27+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50393504
(CHEMBL2159976)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H30N2O4S2/c1-31-18-5-6-22-20(15-18)19(8-10-26-22)23(28)7-4-17-9-11-27(16-21(17)25(29)30)12-14-33-24-3-2-13-32-24/h2-3,5-6,8,10,13,15,17,21,23,28H,4,7,9,11-12,14,16H2,1H3,(H,29,30)/t17-,21+,23+/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 | 2.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50254141
(CHEMBL2382343)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)cccc3F)c2c1 |r,wU:10.10,14.13,19.20,(13.85,-11.9,;15.18,-11.13,;16.52,-11.9,;16.52,-13.44,;17.85,-14.22,;19.18,-13.44,;20.52,-14.2,;21.85,-13.43,;21.84,-11.88,;20.51,-11.12,;20.5,-9.58,;19.16,-8.82,;21.83,-8.8,;23.17,-9.57,;24.5,-8.79,;25.83,-9.56,;27.16,-8.79,;27.16,-7.25,;25.82,-6.48,;24.48,-7.26,;23.14,-6.49,;21.81,-7.27,;23.14,-4.95,;28.49,-6.48,;29.98,-6.85,;30.37,-5.35,;28.91,-4.97,;31.69,-4.57,;31.68,-3.04,;30.34,-2.28,;33,-2.26,;34.35,-3.02,;34.36,-4.56,;33.03,-5.34,;33.04,-6.88,;19.18,-11.89,;17.85,-11.13,)| Show InChI InChI=1S/C29H32F2N2O4/c1-37-20-6-7-26-22(15-20)21(9-11-32-26)27(34)8-5-17-10-12-33(16-23(17)29(35)36)19-13-18(14-19)28-24(30)3-2-4-25(28)31/h2-4,6-7,9,11,15,17-19,23,27,34H,5,8,10,12-14,16H2,1H3,(H,35,36)/t17-,18?,19?,23+,27+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50254140
(CHEMBL2382345)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3F)c2c1 |r,wU:10.10,14.13,19.20,(34.86,-13.2,;36.2,-12.43,;37.53,-13.2,;37.53,-14.75,;38.86,-15.52,;40.2,-14.74,;41.53,-15.51,;42.87,-14.73,;42.86,-13.18,;41.52,-12.42,;41.51,-10.88,;40.18,-10.12,;42.84,-10.11,;44.18,-10.87,;45.51,-10.09,;46.85,-10.86,;48.17,-10.09,;48.17,-8.55,;46.83,-7.79,;45.5,-8.56,;44.16,-7.8,;42.83,-8.57,;44.15,-6.26,;49.5,-7.78,;50.99,-8.16,;51.38,-6.65,;49.92,-6.27,;52.71,-5.88,;52.69,-4.34,;54.01,-3.56,;54,-2.02,;55.36,-4.32,;55.37,-5.86,;54.05,-6.64,;54.06,-8.18,;40.2,-13.2,;38.86,-12.43,)| Show InChI InChI=1S/C29H32F2N2O4/c1-37-21-4-6-27-24(15-21)22(8-10-32-27)28(34)7-2-17-9-11-33(16-25(17)29(35)36)20-12-18(13-20)23-14-19(30)3-5-26(23)31/h3-6,8,10,14-15,17-18,20,25,28,34H,2,7,9,11-13,16H2,1H3,(H,35,36)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491352
(CHEMBL2382351)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)ccc(Cl)c3F)c2c1 |r,wU:10.10,14.13,19.20,(16.3,-11.69,;17.63,-10.92,;18.97,-11.69,;18.96,-13.23,;20.3,-14,;21.63,-13.23,;22.97,-13.99,;24.3,-13.22,;24.29,-11.67,;22.96,-10.91,;22.95,-9.37,;21.61,-8.61,;24.28,-8.59,;25.62,-9.36,;26.95,-8.58,;28.28,-9.35,;29.61,-8.58,;29.61,-7.04,;28.27,-6.27,;26.93,-7.05,;25.59,-6.28,;24.26,-7.06,;25.59,-4.74,;30.94,-6.27,;32.43,-6.64,;32.82,-5.14,;31.36,-4.76,;34.14,-4.36,;35.48,-5.13,;35.49,-6.67,;36.81,-4.35,;36.8,-2.81,;35.45,-2.05,;35.43,-.51,;34.13,-2.83,;32.79,-2.07,;21.63,-11.68,;20.3,-10.92,)| Show InChI InChI=1S/C29H31ClF2N2O4/c1-38-19-3-6-25-21(14-19)20(8-10-33-25)26(35)7-2-16-9-11-34(15-22(16)29(36)37)18-12-17(13-18)27-24(31)5-4-23(30)28(27)32/h3-6,8,10,14,16-18,22,26,35H,2,7,9,11-13,15H2,1H3,(H,36,37)/t16-,17?,18?,22+,26+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491351
(CHEMBL2382384)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3SC)c2c1 |r,wU:10.10,14.13,19.20,(19.86,-11.36,;21.19,-10.59,;22.53,-11.36,;22.52,-12.9,;23.86,-13.68,;25.19,-12.9,;26.53,-13.66,;27.86,-12.89,;27.85,-11.34,;26.52,-10.58,;26.51,-9.04,;25.17,-8.28,;27.84,-8.26,;29.18,-9.03,;30.5,-8.25,;31.84,-9.02,;33.17,-8.25,;33.17,-6.71,;31.83,-5.94,;30.49,-6.72,;29.15,-5.95,;27.82,-6.73,;29.15,-4.41,;34.5,-5.94,;35.99,-6.31,;36.38,-4.81,;34.91,-4.43,;37.7,-4.03,;39.04,-4.8,;40.37,-4.02,;40.36,-2.48,;39.01,-1.72,;37.69,-2.5,;36.35,-1.74,;36.33,-.2,;25.19,-11.35,;23.85,-10.59,)| Show InChI InChI=1S/C30H36N2O4S/c1-36-22-8-9-27-25(17-22)24(11-13-31-27)28(33)10-7-19-12-14-32(18-26(19)30(34)35)21-15-20(16-21)23-5-3-4-6-29(23)37-2/h3-6,8-9,11,13,17,19-21,26,28,33H,7,10,12,14-16,18H2,1-2H3,(H,34,35)/t19-,20?,21?,26+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491363
(CHEMBL2380334)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccno3)c2c1 |r,wU:10.10,14.13,19.20,(20.08,-16.05,;21.41,-15.28,;22.75,-16.05,;22.75,-17.59,;24.08,-18.36,;25.41,-17.58,;26.75,-18.35,;28.08,-17.58,;28.08,-16.03,;26.74,-15.27,;26.73,-13.73,;25.39,-12.96,;28.06,-12.95,;29.4,-13.71,;30.73,-12.94,;32.06,-13.71,;33.39,-12.94,;33.39,-11.4,;32.05,-10.63,;30.71,-11.4,;29.38,-10.64,;28.05,-11.42,;29.37,-9.1,;34.72,-10.62,;36.21,-11,;36.6,-9.49,;35.14,-9.12,;37.92,-8.72,;38.07,-7.18,;39.57,-6.86,;40.34,-8.18,;39.33,-9.32,;25.41,-16.04,;24.08,-15.28,)| Show InChI InChI=1S/C26H31N3O5/c1-33-19-3-4-23-21(14-19)20(6-9-27-23)24(30)5-2-16-8-11-29(15-22(16)26(31)32)18-12-17(13-18)25-7-10-28-34-25/h3-4,6-7,9-10,14,16-18,22,24,30H,2,5,8,11-13,15H2,1H3,(H,31,32)/t16-,17?,18?,22+,24+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491331
(CHEMBL2382381)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)ccc(F)c3OC)c2c1 |r,wU:10.10,14.13,19.20,(12.32,-25.14,;13.65,-24.37,;14.99,-25.14,;14.99,-26.69,;16.32,-27.46,;17.65,-26.68,;18.99,-27.45,;20.32,-26.67,;20.31,-25.12,;18.98,-24.36,;18.97,-22.82,;17.63,-22.06,;20.3,-22.05,;21.64,-22.81,;22.97,-22.03,;24.3,-22.8,;25.63,-22.03,;25.63,-20.49,;24.29,-19.72,;22.95,-20.5,;21.61,-19.73,;20.29,-20.51,;21.61,-18.19,;26.96,-19.72,;28.45,-20.1,;28.84,-18.59,;27.38,-18.21,;30.16,-17.82,;31.5,-18.58,;31.51,-20.12,;32.83,-17.8,;32.82,-16.26,;31.47,-15.5,;31.45,-13.96,;30.15,-16.28,;28.81,-15.53,;28.79,-13.99,;17.65,-25.14,;16.32,-24.37,)| Show InChI InChI=1S/C30H34F2N2O5/c1-38-20-4-7-26-22(15-20)21(9-11-33-26)27(35)8-3-17-10-12-34(16-23(17)30(36)37)19-13-18(14-19)28-24(31)5-6-25(32)29(28)39-2/h4-7,9,11,15,17-19,23,27,35H,3,8,10,12-14,16H2,1-2H3,(H,36,37)/t17-,18?,19?,23+,27+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491341
(CHEMBL2382361)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccc(F)c(F)c3F)c2c1 |r,wU:10.10,14.13,19.20,(45.57,-12.12,;46.91,-11.35,;48.24,-12.12,;48.24,-13.66,;49.57,-14.43,;50.91,-13.65,;52.24,-14.42,;53.58,-13.65,;53.57,-12.1,;52.23,-11.34,;52.22,-9.8,;50.88,-9.03,;53.55,-9.02,;54.89,-9.78,;56.22,-9.01,;57.55,-9.78,;58.88,-9.01,;58.88,-7.47,;57.54,-6.7,;56.2,-7.47,;54.87,-6.71,;53.54,-7.49,;54.86,-5.17,;60.21,-6.69,;61.7,-7.07,;62.09,-5.56,;60.63,-5.19,;63.42,-4.79,;64.76,-5.55,;66.08,-4.78,;66.07,-3.23,;67.4,-2.45,;64.72,-2.47,;64.71,-.93,;63.4,-3.26,;62.06,-2.5,;50.9,-12.11,;49.57,-11.35,)| Show InChI InChI=1S/C29H31F3N2O4/c1-38-19-3-6-25-22(14-19)21(8-10-33-25)26(35)7-2-16-9-11-34(15-23(16)29(36)37)18-12-17(13-18)20-4-5-24(30)28(32)27(20)31/h3-6,8,10,14,16-18,23,26,35H,2,7,9,11-13,15H2,1H3,(H,36,37)/t16-,17?,18?,23+,26+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491375
(CHEMBL2382377)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(Br)ccc3F)c2c1 |r,wU:10.10,14.13,19.20,(38.58,-12.93,;39.91,-12.16,;41.25,-12.93,;41.25,-14.47,;42.58,-15.24,;43.91,-14.47,;45.25,-15.23,;46.58,-14.46,;46.57,-12.91,;45.24,-12.15,;45.23,-10.61,;43.89,-9.85,;46.56,-9.83,;47.9,-10.59,;49.23,-9.82,;50.56,-10.59,;51.89,-9.82,;51.89,-8.28,;50.55,-7.51,;49.21,-8.28,;47.87,-7.52,;46.54,-8.3,;47.87,-5.98,;53.22,-7.51,;54.71,-7.88,;55.1,-6.38,;53.64,-6,;56.42,-5.6,;57.76,-6.36,;59.09,-5.59,;60.43,-6.35,;59.08,-4.04,;57.73,-3.28,;56.41,-4.07,;55.07,-3.31,;43.91,-12.92,;42.58,-12.16,)| Show InChI InChI=1S/C29H32BrFN2O4/c1-37-21-4-6-27-24(15-21)22(8-10-32-27)28(34)7-2-17-9-11-33(16-25(17)29(35)36)20-12-18(13-20)23-14-19(30)3-5-26(23)31/h3-6,8,10,14-15,17-18,20,25,28,34H,2,7,9,11-13,16H2,1H3,(H,35,36)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491329
(CHEMBL2382386)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(SC)ccc3F)c2c1 |r,wU:10.10,14.13,19.20,(3.26,-28.91,;4.6,-28.14,;5.94,-28.91,;5.93,-30.46,;7.27,-31.23,;8.6,-30.45,;9.94,-31.22,;11.27,-30.44,;11.26,-28.89,;9.93,-28.13,;9.92,-26.59,;8.58,-25.83,;11.25,-25.82,;12.59,-26.58,;13.92,-25.8,;15.25,-26.57,;16.58,-25.8,;16.58,-24.26,;15.24,-23.5,;13.9,-24.27,;12.56,-23.51,;11.23,-24.28,;12.56,-21.97,;17.91,-23.49,;19.4,-23.87,;19.79,-22.36,;18.33,-21.98,;21.11,-21.59,;22.45,-22.35,;23.78,-21.57,;25.12,-22.33,;26.45,-21.55,;23.77,-20.03,;22.42,-19.27,;21.1,-20.05,;19.76,-19.3,;8.6,-28.91,;7.27,-28.14,)| Show InChI InChI=1S/C30H35FN2O4S/c1-37-21-4-7-28-25(15-21)23(9-11-32-28)29(34)8-3-18-10-12-33(17-26(18)30(35)36)20-13-19(14-20)24-16-22(38-2)5-6-27(24)31/h4-7,9,11,15-16,18-20,26,29,34H,3,8,10,12-14,17H2,1-2H3,(H,35,36)/t18-,19?,20?,26+,29+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491340
(CHEMBL2382363)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccc(F)c(c3)C#N)c2c1 |r,wU:10.10,14.13,19.20,(8.42,-15.75,;9.75,-14.98,;11.09,-15.75,;11.09,-17.29,;12.42,-18.07,;13.75,-17.29,;15.09,-18.05,;16.42,-17.28,;16.41,-15.73,;15.08,-14.97,;15.07,-13.43,;13.73,-12.67,;16.4,-12.65,;17.74,-13.42,;19.07,-12.64,;20.4,-13.41,;21.73,-12.64,;21.73,-11.1,;20.39,-10.33,;19.05,-11.11,;17.72,-10.34,;16.39,-11.12,;17.71,-8.8,;23.06,-10.33,;24.55,-10.7,;24.94,-9.2,;23.48,-8.82,;26.26,-8.42,;27.6,-9.19,;28.93,-8.41,;28.92,-6.87,;30.25,-6.09,;27.57,-6.11,;26.25,-6.89,;27.55,-4.57,;27.54,-3.03,;13.75,-15.74,;12.42,-14.98,)| Show InChI InChI=1S/C30H32FN3O4/c1-38-23-4-6-28-25(15-23)24(8-10-33-28)29(35)7-3-18-9-11-34(17-26(18)30(36)37)22-13-20(14-22)19-2-5-27(31)21(12-19)16-32/h2,4-6,8,10,12,15,18,20,22,26,29,35H,3,7,9,11,13-14,17H2,1H3,(H,36,37)/t18-,20?,22?,26+,29+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
Penicillin-binding protein 1A
(Pseudomonas aeruginosa PAO1) | BDBM50240480
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O |r| Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co... |
J Med Chem 57: 3845-55 (2014)
Article DOI: 10.1021/jm500219c
BindingDB Entry DOI: 10.7270/Q2SJ1N5R |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491364
(CHEMBL2382385)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cccc(SC)c3)c2c1 |r,wU:10.10,14.13,19.20,(52.41,-12.06,;53.74,-11.29,;55.08,-12.06,;55.08,-13.61,;56.41,-14.38,;57.74,-13.6,;59.08,-14.37,;60.41,-13.59,;60.4,-12.04,;59.07,-11.28,;59.06,-9.74,;57.72,-8.98,;60.39,-8.97,;61.73,-9.73,;63.06,-8.95,;64.39,-9.72,;65.72,-8.95,;65.72,-7.41,;64.38,-6.64,;63.04,-7.42,;61.71,-6.66,;60.38,-7.43,;61.7,-5.12,;67.05,-6.64,;68.54,-7.02,;68.93,-5.51,;67.47,-5.13,;70.25,-4.74,;71.59,-5.5,;72.92,-4.72,;72.91,-3.18,;71.56,-2.42,;71.54,-.88,;72.87,-.11,;70.24,-3.2,;57.74,-12.06,;56.41,-11.29,)| Show InChI InChI=1S/C30H36N2O4S/c1-36-23-7-8-28-26(17-23)25(10-12-31-28)29(33)9-6-19-11-13-32(18-27(19)30(34)35)22-14-21(15-22)20-4-3-5-24(16-20)37-2/h3-5,7-8,10,12,16-17,19,21-22,27,29,33H,6,9,11,13-15,18H2,1-2H3,(H,34,35)/t19-,21?,22?,27+,29+/m1/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491372
(CHEMBL2382368)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)c(Cl)cc3F)c2c1 |r,wU:10.10,14.13,19.20,(15.54,-12.27,;16.88,-11.5,;18.21,-12.27,;18.21,-13.81,;19.54,-14.58,;20.88,-13.81,;22.21,-14.57,;23.55,-13.8,;23.54,-12.25,;22.2,-11.49,;22.19,-9.95,;20.86,-9.19,;23.52,-9.17,;24.86,-9.93,;26.19,-9.16,;27.53,-9.93,;28.85,-9.16,;28.85,-7.62,;27.51,-6.85,;26.18,-7.62,;24.84,-6.86,;23.51,-7.64,;24.83,-5.32,;30.18,-6.85,;31.67,-7.22,;32.07,-5.72,;30.6,-5.34,;33.39,-4.94,;34.73,-5.71,;36.05,-4.93,;37.39,-5.69,;36.04,-3.39,;37.37,-2.6,;34.7,-2.63,;33.37,-3.41,;32.03,-2.65,;20.88,-12.26,;19.54,-11.5,)| Show InChI InChI=1S/C29H31ClF2N2O4/c1-38-19-3-4-27-22(12-19)20(6-8-33-27)28(35)5-2-16-7-9-34(15-23(16)29(36)37)18-10-17(11-18)21-13-26(32)24(30)14-25(21)31/h3-4,6,8,12-14,16-18,23,28,35H,2,5,7,9-11,15H2,1H3,(H,36,37)/t16-,17?,18?,23+,28+/m1/s1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491328
(CHEMBL2382387)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C\C=C\c4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C28H32N2O4/c1-34-22-10-11-26-24(18-22)23(13-15-29-26)27(31)12-9-21-14-17-30(19-25(21)28(32)33)16-5-8-20-6-3-2-4-7-20/h2-8,10-11,13,15,18,21,25,27,31H,9,12,14,16-17,19H2,1H3,(H,32,33)/b8-5+/t21-,25+,27+/m1/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491346
(CHEMBL2382349)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)cccc3Cl)c2c1 |r,wU:10.10,14.13,19.20,(26.98,-16.46,;28.31,-15.69,;29.65,-16.46,;29.64,-18.01,;30.98,-18.78,;32.31,-18,;33.65,-18.77,;34.98,-17.99,;34.97,-16.44,;33.64,-15.68,;33.63,-14.14,;32.29,-13.38,;34.96,-13.37,;36.29,-14.13,;37.62,-13.35,;38.96,-14.12,;40.29,-13.35,;40.29,-11.81,;38.95,-11.05,;37.61,-11.82,;36.27,-11.06,;34.94,-11.83,;36.27,-9.52,;41.62,-11.04,;43.11,-11.42,;43.5,-9.91,;42.03,-9.53,;44.82,-9.14,;46.16,-9.9,;46.17,-11.44,;47.49,-9.12,;47.48,-7.58,;46.13,-6.82,;44.81,-7.6,;43.47,-6.85,;32.31,-16.46,;30.97,-15.69,)| Show InChI InChI=1S/C29H32ClFN2O4/c1-37-20-6-7-26-22(15-20)21(9-11-32-26)27(34)8-5-17-10-12-33(16-23(17)29(35)36)19-13-18(14-19)28-24(30)3-2-4-25(28)31/h2-4,6-7,9,11,15,17-19,23,27,34H,5,8,10,12-14,16H2,1H3,(H,35,36)/t17-,18?,19?,23+,27+/m1/s1 | PDB
MMDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491361
(CHEMBL2382358)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccc(cc3F)C(F)(F)F)c2c1 |r,wU:10.10,14.13,19.20,(.23,-11.6,;1.57,-10.83,;2.9,-11.6,;2.9,-13.15,;4.24,-13.92,;5.57,-13.14,;6.9,-13.91,;8.24,-13.13,;8.23,-11.58,;6.89,-10.82,;6.89,-9.28,;5.55,-8.52,;8.22,-8.51,;9.55,-9.27,;10.88,-8.49,;12.22,-9.26,;13.54,-8.49,;13.54,-6.95,;12.21,-6.18,;10.87,-6.96,;9.53,-6.19,;8.2,-6.97,;9.52,-4.65,;14.88,-6.18,;16.36,-6.56,;16.76,-5.05,;15.29,-4.67,;18.08,-4.28,;19.42,-5.04,;20.75,-4.26,;20.74,-2.72,;19.39,-1.96,;18.07,-2.74,;16.72,-1.99,;22.06,-1.94,;23.4,-2.7,;22.05,-.4,;23.39,-1.16,;5.57,-11.6,;4.23,-10.83,)| Show InChI InChI=1S/C30H32F4N2O4/c1-40-21-4-6-27-24(15-21)23(8-10-35-27)28(37)7-2-17-9-11-36(16-25(17)29(38)39)20-12-18(13-20)22-5-3-19(14-26(22)31)30(32,33)34/h3-6,8,10,14-15,17-18,20,25,28,37H,2,7,9,11-13,16H2,1H3,(H,38,39)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491360
(CHEMBL2382371)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccccc3OC)c2c1 |r,wU:10.10,14.13,19.20,(27.08,-16.83,;28.42,-16.06,;29.75,-16.83,;29.75,-18.38,;31.08,-19.15,;32.42,-18.37,;33.75,-19.14,;35.09,-18.36,;35.08,-16.81,;33.74,-16.05,;33.73,-14.51,;32.4,-13.75,;35.06,-13.74,;36.4,-14.5,;37.73,-13.72,;39.06,-14.49,;40.39,-13.72,;40.39,-12.18,;39.05,-11.42,;37.72,-12.19,;36.38,-11.43,;35.05,-12.2,;36.37,-9.89,;41.72,-11.41,;43.21,-11.79,;43.6,-10.28,;42.14,-9.9,;44.93,-9.51,;46.27,-10.27,;47.59,-9.49,;47.58,-7.95,;46.23,-7.19,;44.91,-7.97,;43.57,-7.22,;43.53,-5.67,;32.41,-16.83,;31.08,-16.06,)| Show InChI InChI=1S/C30H36N2O5/c1-36-22-8-9-27-25(17-22)24(11-13-31-27)28(33)10-7-19-12-14-32(18-26(19)30(34)35)21-15-20(16-21)23-5-3-4-6-29(23)37-2/h3-6,8-9,11,13,17,19-21,26,28,33H,7,10,12,14-16,18H2,1-2H3,(H,34,35)/t19-,20?,21?,26+,28+/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491327
(CHEMBL2382388)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ncc(C)o3)c2c1 |r,wU:10.10,14.13,19.20,(11.29,-16.54,;12.63,-15.77,;13.96,-16.54,;13.96,-18.09,;15.29,-18.86,;16.63,-18.08,;17.96,-18.85,;19.29,-18.07,;19.29,-16.52,;17.95,-15.76,;17.94,-14.22,;16.6,-13.46,;19.27,-13.45,;20.61,-14.21,;21.94,-13.43,;23.27,-14.2,;24.6,-13.43,;24.6,-11.89,;23.26,-11.13,;21.92,-11.9,;20.59,-11.14,;19.26,-11.91,;20.58,-9.6,;25.93,-11.12,;27.42,-11.5,;27.81,-9.99,;26.35,-9.61,;29.14,-9.21,;29.29,-7.67,;30.79,-7.34,;31.57,-8.67,;33.1,-8.82,;30.55,-9.82,;16.62,-16.54,;15.29,-15.77,)| Show InChI InChI=1S/C27H33N3O5/c1-16-14-29-26(35-16)18-11-19(12-18)30-10-8-17(23(15-30)27(32)33)3-6-25(31)21-7-9-28-24-5-4-20(34-2)13-22(21)24/h4-5,7,9,13-14,17-19,23,25,31H,3,6,8,10-12,15H2,1-2H3,(H,32,33)/t17-,18?,19?,23+,25+/m1/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491357
(CHEMBL2382352)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccc(Cl)cc3F)c2c1 |r,wU:10.10,14.13,19.20,(34.96,-12.09,;36.29,-11.32,;37.62,-12.09,;37.62,-13.63,;38.96,-14.4,;40.29,-13.62,;41.62,-14.39,;42.96,-13.62,;42.95,-12.07,;41.61,-11.31,;41.61,-9.77,;40.27,-9,;42.94,-8.99,;44.27,-9.75,;45.6,-8.98,;46.94,-9.75,;48.26,-8.98,;48.26,-7.43,;46.93,-6.67,;45.59,-7.44,;44.25,-6.68,;42.92,-7.46,;44.24,-5.14,;49.6,-6.66,;51.08,-7.04,;51.48,-5.53,;50.01,-5.15,;52.8,-4.76,;54.14,-5.52,;55.47,-4.74,;55.46,-3.2,;56.78,-2.42,;54.11,-2.44,;52.79,-3.23,;51.44,-2.47,;40.29,-12.08,;38.95,-11.32,)| Show InChI InChI=1S/C29H32ClFN2O4/c1-37-21-4-6-27-24(15-21)23(8-10-32-27)28(34)7-2-17-9-11-33(16-25(17)29(35)36)20-12-18(13-20)22-5-3-19(30)14-26(22)31/h3-6,8,10,14-15,17-18,20,25,28,34H,2,7,9,11-13,16H2,1H3,(H,35,36)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491330
(CHEMBL2382382)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)cc(F)c3OC)c2c1 |r,wU:10.10,14.13,19.20,(8.61,-12.55,;9.95,-11.78,;11.29,-12.54,;11.29,-14.09,;12.62,-14.86,;13.95,-14.08,;15.29,-14.85,;16.62,-14.07,;16.61,-12.53,;15.28,-11.77,;15.27,-10.23,;13.93,-9.46,;16.6,-9.45,;17.94,-10.21,;19.27,-9.43,;20.6,-10.2,;21.93,-9.43,;21.93,-7.89,;20.59,-7.13,;19.25,-7.9,;17.91,-7.14,;16.59,-7.91,;17.91,-5.6,;23.26,-7.12,;24.75,-7.5,;25.14,-5.99,;23.68,-5.61,;26.46,-5.22,;27.8,-5.98,;29.13,-5.2,;30.47,-5.96,;29.12,-3.66,;27.77,-2.9,;27.75,-1.36,;26.45,-3.68,;25.11,-2.93,;25.09,-1.39,;13.95,-12.54,;12.62,-11.77,)| Show InChI InChI=1S/C30H34F2N2O5/c1-38-21-4-5-27-24(15-21)22(7-9-33-27)28(35)6-3-17-8-10-34(16-25(17)30(36)37)20-11-18(12-20)23-13-19(31)14-26(32)29(23)39-2/h4-5,7,9,13-15,17-18,20,25,28,35H,3,6,8,10-12,16H2,1-2H3,(H,36,37)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491373
(CHEMBL2382360)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccc(Br)cc3F)c2c1 |r,wU:10.10,14.13,19.20,(18.88,-11.09,;20.21,-10.32,;21.54,-11.09,;21.54,-12.63,;22.88,-13.4,;24.21,-12.62,;25.54,-13.39,;26.88,-12.61,;26.87,-11.07,;25.53,-10.31,;25.53,-8.77,;24.19,-8,;26.85,-7.99,;28.19,-8.75,;29.52,-7.97,;30.86,-8.74,;32.18,-7.97,;32.18,-6.43,;30.85,-5.67,;29.51,-6.44,;28.17,-5.68,;26.84,-6.45,;28.16,-4.14,;33.52,-5.66,;35,-6.04,;35.4,-4.53,;33.93,-4.15,;36.72,-3.76,;38.06,-4.52,;39.39,-3.74,;39.38,-2.2,;40.7,-1.42,;38.03,-1.44,;36.71,-2.22,;35.36,-1.47,;24.21,-11.08,;22.87,-10.31,)| Show InChI InChI=1S/C29H32BrFN2O4/c1-37-21-4-6-27-24(15-21)23(8-10-32-27)28(34)7-2-17-9-11-33(16-25(17)29(35)36)20-12-18(13-20)22-5-3-19(30)14-26(22)31/h3-6,8,10,14-15,17-18,20,25,28,34H,2,7,9,11-13,16H2,1H3,(H,35,36)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491342
(CHEMBL2382357)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cccc(c3F)C(F)(F)F)c2c1 |r,wU:10.10,14.13,19.20,(52.18,-27.49,;53.51,-26.72,;54.85,-27.49,;54.84,-29.04,;56.18,-29.81,;57.51,-29.03,;58.85,-29.8,;60.18,-29.02,;60.17,-27.47,;58.84,-26.71,;58.83,-25.17,;57.49,-24.41,;60.16,-24.4,;61.49,-25.16,;62.82,-24.38,;64.16,-25.15,;65.48,-24.38,;65.48,-22.84,;64.15,-22.08,;62.81,-22.85,;61.47,-22.09,;60.14,-22.86,;61.46,-20.55,;66.82,-22.07,;68.3,-22.45,;68.7,-20.94,;67.23,-20.56,;70.02,-20.17,;71.36,-20.93,;72.69,-20.15,;72.68,-18.61,;71.33,-17.85,;70.01,-18.63,;68.67,-17.88,;71.31,-16.31,;72.64,-15.53,;69.97,-15.56,;71.3,-14.77,;57.51,-27.49,;56.17,-26.72,)| Show InChI InChI=1S/C30H32F4N2O4/c1-40-20-6-7-26-23(15-20)22(9-11-35-26)27(37)8-5-17-10-12-36(16-24(17)29(38)39)19-13-18(14-19)21-3-2-4-25(28(21)31)30(32,33)34/h2-4,6-7,9,11,15,17-19,24,27,37H,5,8,10,12-14,16H2,1H3,(H,38,39)/t17-,18?,19?,24+,27+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491370
(CHEMBL2382353)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3c(F)cc(F)cc3F)c2c1 |r,wU:10.10,14.13,19.20,(52.48,-12.21,;53.81,-11.44,;55.15,-12.21,;55.15,-13.76,;56.48,-14.53,;57.81,-13.75,;59.15,-14.51,;60.48,-13.74,;60.48,-12.19,;59.14,-11.43,;59.13,-9.89,;57.79,-9.13,;60.46,-9.11,;61.8,-9.88,;63.13,-9.1,;64.46,-9.87,;65.79,-9.1,;65.79,-7.56,;64.45,-6.79,;63.11,-7.57,;61.78,-6.8,;60.45,-7.58,;61.77,-5.26,;67.12,-6.79,;68.61,-7.16,;69,-5.66,;67.54,-5.28,;70.32,-4.88,;70.31,-3.35,;68.97,-2.59,;71.63,-2.57,;72.98,-3.33,;74.31,-2.55,;72.99,-4.87,;71.66,-5.65,;71.67,-7.19,;57.81,-12.2,;56.48,-11.44,)| Show InChI InChI=1S/C29H31F3N2O4/c1-38-20-3-4-26-22(14-20)21(6-8-33-26)27(35)5-2-16-7-9-34(15-23(16)29(36)37)19-10-17(11-19)28-24(31)12-18(30)13-25(28)32/h3-4,6,8,12-14,16-17,19,23,27,35H,2,5,7,9-11,15H2,1H3,(H,36,37)/t16-,17?,19?,23+,27+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50491339
(CHEMBL2382364)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)cc(F)c3)c2c1 |r,wU:10.10,14.13,19.20,(13.77,-16.18,;15.11,-15.41,;16.44,-16.18,;16.44,-17.72,;17.77,-18.49,;19.11,-17.72,;20.44,-18.48,;21.78,-17.71,;21.77,-16.16,;20.43,-15.4,;20.42,-13.86,;19.09,-13.1,;21.75,-13.08,;23.09,-13.84,;24.42,-13.07,;25.76,-13.84,;27.08,-13.07,;27.08,-11.53,;25.74,-10.76,;24.41,-11.53,;23.07,-10.77,;21.74,-11.55,;23.06,-9.23,;28.41,-10.76,;29.9,-11.13,;30.29,-9.63,;28.83,-9.25,;31.62,-8.85,;31.6,-7.32,;32.92,-6.53,;32.91,-5,;34.27,-7.29,;34.28,-8.84,;35.62,-9.6,;32.96,-9.61,;19.11,-16.17,;17.77,-15.41,)| Show InChI InChI=1S/C29H32F2N2O4/c1-37-23-3-4-27-25(15-23)24(6-8-32-27)28(34)5-2-17-7-9-33(16-26(17)29(35)36)22-12-19(13-22)18-10-20(30)14-21(31)11-18/h3-4,6,8,10-11,14-15,17,19,22,26,28,34H,2,5,7,9,12-13,16H2,1H3,(H,35,36)/t17-,19?,22?,26+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel in HEK293 cells by voltage-gated patch clamp technique |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491349
(CHEMBL2382285)Show SMILES COc1ccc2nccc(C(O)CC[C@@H]3CCN(C\C=C\c4cc(F)ccc4F)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C28H30F2N2O4/c1-36-21-6-8-26-23(16-21)22(10-12-31-26)27(33)9-4-18-11-14-32(17-24(18)28(34)35)13-2-3-19-15-20(29)5-7-25(19)30/h2-3,5-8,10,12,15-16,18,24,27,33H,4,9,11,13-14,17H2,1H3,(H,34,35)/b3-2+/t18-,24+,27?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491354
(CHEMBL2382383)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(ccc3F)C#N)c2c1 |r,wU:10.10,14.13,19.20,(12.46,-11.77,;13.8,-11,;15.13,-11.77,;15.13,-13.32,;16.46,-14.09,;17.8,-13.31,;19.13,-14.08,;20.47,-13.3,;20.46,-11.75,;19.12,-10.99,;19.11,-9.45,;17.78,-8.69,;20.44,-8.67,;21.78,-9.44,;23.11,-8.66,;24.45,-9.43,;25.77,-8.66,;25.77,-7.12,;24.43,-6.35,;23.1,-7.13,;21.76,-6.36,;20.43,-7.14,;21.75,-4.82,;27.1,-6.35,;28.59,-6.72,;28.99,-5.22,;27.52,-4.84,;30.31,-4.44,;31.65,-5.21,;32.97,-4.43,;32.96,-2.89,;31.62,-2.13,;30.29,-2.91,;28.95,-2.15,;34.31,-5.19,;35.65,-5.95,;17.8,-11.76,;16.46,-11,)| Show InChI InChI=1S/C30H32FN3O4/c1-38-22-4-6-28-25(15-22)23(8-10-33-28)29(35)7-3-19-9-11-34(17-26(19)30(36)37)21-13-20(14-21)24-12-18(16-32)2-5-27(24)31/h2,4-6,8,10,12,15,19-21,26,29,35H,3,7,9,11,13-14,17H2,1H3,(H,36,37)/t19-,20?,21?,26+,29+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491359
(CHEMBL2380333)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3cc(F)ccc3C(F)(F)F)c2c1 |r,wU:10.10,14.13,19.20,(31.4,-25.25,;32.73,-24.48,;34.07,-25.25,;34.06,-26.8,;35.4,-27.57,;36.73,-26.79,;38.07,-27.55,;39.4,-26.78,;39.39,-25.23,;38.06,-24.47,;38.05,-22.93,;36.71,-22.17,;39.38,-22.15,;40.72,-22.92,;42.05,-22.14,;43.38,-22.91,;44.71,-22.14,;44.71,-20.6,;43.37,-19.83,;42.03,-20.61,;40.69,-19.84,;39.36,-20.62,;40.69,-18.3,;46.04,-19.83,;47.53,-20.2,;47.92,-18.7,;46.46,-18.32,;49.24,-17.92,;50.58,-18.69,;51.91,-17.91,;53.25,-18.67,;51.9,-16.37,;50.55,-15.61,;49.23,-16.39,;47.89,-15.63,;47.87,-14.09,;46.56,-16.42,;46.54,-14.86,;36.73,-25.24,;35.4,-24.48,)| Show InChI InChI=1S/C30H32F4N2O4/c1-40-21-4-6-27-24(15-21)22(8-10-35-27)28(37)7-2-17-9-11-36(16-25(17)29(38)39)20-12-18(13-20)23-14-19(31)3-5-26(23)30(32,33)34/h3-6,8,10,14-15,17-18,20,25,28,37H,2,7,9,11-13,16H2,1H3,(H,38,39)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50491371
(CHEMBL2382346)Show SMILES COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C[C@@H]3C(O)=O)C3CC(C3)c3ccc(F)cc3F)c2c1 |r,wU:10.10,14.13,19.20,(5.6,-17.81,;6.95,-17.04,;8.28,-17.81,;8.28,-19.35,;9.61,-20.12,;10.95,-19.34,;12.28,-20.11,;13.62,-19.34,;13.61,-17.79,;12.27,-17.03,;12.26,-15.49,;10.93,-14.72,;13.59,-14.71,;14.93,-15.47,;16.26,-14.7,;17.6,-15.47,;18.92,-14.7,;18.92,-13.16,;17.58,-12.39,;16.25,-13.16,;14.91,-12.4,;13.58,-13.18,;14.9,-10.86,;20.25,-12.38,;21.74,-12.76,;22.13,-11.25,;20.67,-10.88,;23.46,-10.48,;24.8,-11.24,;26.12,-10.46,;26.11,-8.92,;27.44,-8.14,;24.76,-8.16,;23.44,-8.95,;22.1,-8.19,;10.94,-17.8,;9.61,-17.04,)| Show InChI InChI=1S/C29H32F2N2O4/c1-37-21-4-6-27-24(15-21)23(8-10-32-27)28(34)7-2-17-9-11-33(16-25(17)29(35)36)20-12-18(13-20)22-5-3-19(30)14-26(22)31/h3-6,8,10,14-15,17-18,20,25,28,34H,2,7,9,11-13,16H2,1H3,(H,35,36)/t17-,18?,20?,25+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
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