Found 80 hits with Last Name = 'wisniewski' and Initial = 'd' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347189
(CHEMBL1795572)Show SMILES CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1ccc(Cl)s1 Show InChI InChI=1S/C15H12ClFN3O5PS/c1-24-20-14(12-4-5-13(16)27-12)15(21)19-8-26(22,23)25-10-3-2-9(7-18)11(17)6-10/h2-6H,8H2,1H3,(H,19,21)(H,22,23)/b20-14+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347184
(CHEMBL1795567)Show SMILES CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22)/b19-14+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347182
(CHEMBL1795565)Show SMILES CON=C(C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 |w:2.1| Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347189
(CHEMBL1795572)Show SMILES CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1ccc(Cl)s1 Show InChI InChI=1S/C15H12ClFN3O5PS/c1-24-20-14(12-4-5-13(16)27-12)15(21)19-8-26(22,23)25-10-3-2-9(7-18)11(17)6-10/h2-6H,8H2,1H3,(H,19,21)(H,22,23)/b20-14+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347188
(CHEMBL1795571)Show SMILES [O-]P(=O)(CNC(=O)C(=N/OCCC[n+]1ccccc1)\c1cccs1)Oc1ccc(C#N)c(F)c1 Show InChI InChI=1S/C22H20FN4O5PS/c23-19-14-18(8-7-17(19)15-24)32-33(29,30)16-25-22(28)21(20-6-4-13-34-20)26-31-12-5-11-27-9-2-1-3-10-27/h1-4,6-10,13-14H,5,11-12,16H2,(H-,25,28,29,30)/b26-21- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347188
(CHEMBL1795571)Show SMILES [O-]P(=O)(CNC(=O)C(=N/OCCC[n+]1ccccc1)\c1cccs1)Oc1ccc(C#N)c(F)c1 Show InChI InChI=1S/C22H20FN4O5PS/c23-19-14-18(8-7-17(19)15-24)32-33(29,30)16-25-22(28)21(20-6-4-13-34-20)26-31-12-5-11-27-9-2-1-3-10-27/h1-4,6-10,13-14H,5,11-12,16H2,(H-,25,28,29,30)/b26-21- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347184
(CHEMBL1795567)Show SMILES CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22)/b19-14+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347182
(CHEMBL1795565)Show SMILES CON=C(C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 |w:2.1| Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347183
(CHEMBL1795566)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22)/b19-14- | PDB
UniProtKB/SwissProt
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 |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347188
(CHEMBL1795571)Show SMILES [O-]P(=O)(CNC(=O)C(=N/OCCC[n+]1ccccc1)\c1cccs1)Oc1ccc(C#N)c(F)c1 Show InChI InChI=1S/C22H20FN4O5PS/c23-19-14-18(8-7-17(19)15-24)32-33(29,30)16-25-22(28)21(20-6-4-13-34-20)26-31-12-5-11-27-9-2-1-3-10-27/h1-4,6-10,13-14H,5,11-12,16H2,(H-,25,28,29,30)/b26-21- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347188
(CHEMBL1795571)Show SMILES [O-]P(=O)(CNC(=O)C(=N/OCCC[n+]1ccccc1)\c1cccs1)Oc1ccc(C#N)c(F)c1 Show InChI InChI=1S/C22H20FN4O5PS/c23-19-14-18(8-7-17(19)15-24)32-33(29,30)16-25-22(28)21(20-6-4-13-34-20)26-31-12-5-11-27-9-2-1-3-10-27/h1-4,6-10,13-14H,5,11-12,16H2,(H-,25,28,29,30)/b26-21- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347185
(CHEMBL1795568)Show SMILES OP(=O)(CNC(=O)C(N=O)c1cccs1)Oc1ccc(C#N)c(F)c1 Show InChI InChI=1S/C14H11FN3O5PS/c15-11-6-10(4-3-9(11)7-16)23-24(21,22)8-17-14(19)13(18-20)12-2-1-5-25-12/h1-6,13H,8H2,(H,17,19)(H,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347183
(CHEMBL1795566)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22)/b19-14- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347185
(CHEMBL1795568)Show SMILES OP(=O)(CNC(=O)C(N=O)c1cccs1)Oc1ccc(C#N)c(F)c1 Show InChI InChI=1S/C14H11FN3O5PS/c15-11-6-10(4-3-9(11)7-16)23-24(21,22)8-17-14(19)13(18-20)12-2-1-5-25-12/h1-6,13H,8H2,(H,17,19)(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347181
(CHEMBL1795564)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(NC(=O)C(Cl)(Cl)Cl)s1 Show InChI InChI=1S/C16H12Cl3FN5O6PS/c1-30-25-12(11-6-22-15(33-11)24-14(27)16(17,18)19)13(26)23-7-32(28,29)31-9-3-2-8(5-21)10(20)4-9/h2-4,6H,7H2,1H3,(H,23,26)(H,28,29)(H,22,24,27)/b25-12- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347181
(CHEMBL1795564)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(NC(=O)C(Cl)(Cl)Cl)s1 Show InChI InChI=1S/C16H12Cl3FN5O6PS/c1-30-25-12(11-6-22-15(33-11)24-14(27)16(17,18)19)13(26)23-7-32(28,29)31-9-3-2-8(5-21)10(20)4-9/h2-4,6H,7H2,1H3,(H,23,26)(H,28,29)(H,22,24,27)/b25-12- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM98796
(US8487093, 184)Show SMILES Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)n1 |r| Show InChI InChI=1S/C12H15N5O6S/c13-9-2-1-3-10(14-9)15-11(18)8-5-4-7-6-16(8)12(19)17(7)23-24(20,21)22/h1-3,7-8H,4-6H2,(H,20,21,22)(H3,13,14,15,18)/t7-,8+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin |
Bioorg Med Chem Lett 24: 780-5 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41 |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM98792
(US8487093, 180)Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccccn2)C1=O |r| Show InChI InChI=1S/C12H14N4O6S/c17-11(14-10-3-1-2-6-13-10)9-5-4-8-7-15(9)12(18)16(8)22-23(19,20)21/h1-3,6,8-9H,4-5,7H2,(H,13,14,17)(H,19,20,21)/t8-,9+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin |
Bioorg Med Chem Lett 24: 780-5 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348181
(CHEMBL1800870)Show SMILES NCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C14H25N5O5S/c15-5-9-17-6-1-2-10(3-7-17)16-14(21)18-8-4-11-12(18)13(20)19(11)25(22,23)24/h10-12H,1-9,15H2,(H,16,21)(H,22,23,24)/t10-,11+,12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347180
(CHEMBL1795563)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1 Show InChI InChI=1S/C14H13FN5O5PS/c1-24-20-12(11-6-18-14(17)27-11)13(21)19-7-26(22,23)25-9-3-2-8(5-16)10(15)4-9/h2-4,6H,7H2,1H3,(H2,17,18)(H,19,21)(H,22,23)/b20-12- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348179
(CHEMBL1800868)Show SMILES OCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C14H24N4O6S/c19-9-8-16-5-1-2-10(3-6-16)15-14(21)17-7-4-11-12(17)13(20)18(11)25(22,23)24/h10-12,19H,1-9H2,(H,15,21)(H,22,23,24)/t10-,11+,12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348182
(CHEMBL1800871)Show SMILES CN(C)CC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C16H29N5O5S/c1-18(2)10-11-19-7-3-4-12(5-8-19)17-16(23)20-9-6-13-14(20)15(22)21(13)27(24,25)26/h12-14H,3-11H2,1-2H3,(H,17,23)(H,24,25,26)/t12-,13+,14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50309899
((1S,5R)-2-((S)-azepan-4-ylcarbamoyl)-7-oxo-2,6-dia...)Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCNCC1 |r| Show InChI InChI=1S/C12H20N4O5S/c17-11-10-9(16(11)22(19,20)21)4-7-15(10)12(18)14-8-2-1-5-13-6-3-8/h8-10,13H,1-7H2,(H,14,18)(H,19,20,21)/t8-,9+,10-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348180
(CHEMBL1800869)Show SMILES OCCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C15H26N4O6S/c20-10-2-7-17-6-1-3-11(4-8-17)16-15(22)18-9-5-12-13(18)14(21)19(12)26(23,24)25/h11-13,20H,1-10H2,(H,16,22)(H,23,24,25)/t11-,12+,13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348178
(CHEMBL1800867)Show SMILES C[N+]1(C)CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C14H24N4O5S/c1-18(2)8-3-4-10(6-9-18)15-14(20)16-7-5-11-12(16)13(19)17(11)24(21,22)23/h10-12H,3-9H2,1-2H3,(H-,15,20,21,22,23)/t10-,11+,12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347180
(CHEMBL1795563)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1 Show InChI InChI=1S/C14H13FN5O5PS/c1-24-20-12(11-6-18-14(17)27-11)13(21)19-7-26(22,23)25-9-3-2-8(5-16)10(15)4-9/h2-4,6H,7H2,1H3,(H2,17,18)(H,19,21)(H,22,23)/b20-12- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348187
(CHEMBL1800876)Show SMILES CN(C)CCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C12H22N4O5S/c1-14(2)7-4-3-6-13-12(18)15-8-5-9-10(15)11(17)16(9)22(19,20)21/h9-10H,3-8H2,1-2H3,(H,13,18)(H,19,20,21)/t9-,10+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348185
(CHEMBL1800874)Show SMILES CC(C)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C9H15N3O5S/c1-5(2)10-9(14)11-4-3-6-7(11)8(13)12(6)18(15,16)17/h5-7H,3-4H2,1-2H3,(H,10,14)(H,15,16,17)/t6-,7+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348188
(CHEMBL1800877)Show SMILES CN(C)CCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C13H24N4O5S/c1-15(2)8-5-3-4-7-14-13(19)16-9-6-10-11(16)12(18)17(10)23(20,21)22/h10-11H,3-9H2,1-2H3,(H,14,19)(H,20,21,22)/t10-,11+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348186
(CHEMBL1800875)Show SMILES CN(C)CCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C11H20N4O5S/c1-13(2)6-3-5-12-11(17)14-7-4-8-9(14)10(16)15(8)21(18,19)20/h8-9H,3-7H2,1-2H3,(H,12,17)(H,18,19,20)/t8-,9+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348177
(CHEMBL1800866)Show SMILES C[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C13H22N4O5S/c1-15-6-2-3-9(4-7-15)14-13(19)16-8-5-10-11(16)12(18)17(10)23(20,21)22/h9-11H,2-8H2,1H3,(H,14,19)(H,20,21,22)/t9-,10+,11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347187
(CHEMBL1795570)Show InChI InChI=1S/C8H11N2O5PS/c1-15-10-7(6-3-2-4-17-6)8(11)9-5-16(12,13)14/h2-4H,5H2,1H3,(H,9,11)(H2,12,13,14)/b10-7+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL 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 |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347181
(CHEMBL1795564)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(NC(=O)C(Cl)(Cl)Cl)s1 Show InChI InChI=1S/C16H12Cl3FN5O6PS/c1-30-25-12(11-6-22-15(33-11)24-14(27)16(17,18)19)13(26)23-7-32(28,29)31-9-3-2-8(5-21)10(20)4-9/h2-4,6H,7H2,1H3,(H,23,26)(H,28,29)(H,22,24,27)/b25-12- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL 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 |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347181
(CHEMBL1795564)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(NC(=O)C(Cl)(Cl)Cl)s1 Show InChI InChI=1S/C16H12Cl3FN5O6PS/c1-30-25-12(11-6-22-15(33-11)24-14(27)16(17,18)19)13(26)23-7-32(28,29)31-9-3-2-8(5-21)10(20)4-9/h2-4,6H,7H2,1H3,(H,23,26)(H,28,29)(H,22,24,27)/b25-12- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL 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 |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347187
(CHEMBL1795570)Show InChI InChI=1S/C8H11N2O5PS/c1-15-10-7(6-3-2-4-17-6)8(11)9-5-16(12,13)14/h2-4H,5H2,1H3,(H,9,11)(H2,12,13,14)/b10-7+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348190
(CHEMBL1800183)Show SMILES CNCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C11H20N4O5S/c1-12-5-2-3-6-13-11(17)14-7-4-8-9(14)10(16)15(8)21(18,19)20/h8-9,12H,2-7H2,1H3,(H,13,17)(H,18,19,20)/t8-,9+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM98800
(US8487093, 190)Show SMILES NCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)nc1 |r| Show InChI InChI=1S/C13H17N5O6S/c14-5-8-1-4-11(15-6-8)16-12(19)10-3-2-9-7-17(10)13(20)18(9)24-25(21,22)23/h1,4,6,9-10H,2-3,5,7,14H2,(H,15,16,19)(H,21,22,23)/t9-,10+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin |
Bioorg Med Chem Lett 24: 780-5 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41 |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM98787
(US8487093, 170)Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r| Show InChI InChI=1S/C14H15N3O8S/c18-12(15-9-3-1-8(2-4-9)13(19)20)11-6-5-10-7-16(11)14(21)17(10)25-26(22,23)24/h1-4,10-11H,5-7H2,(H,15,18)(H,19,20)(H,22,23,24)/t10-,11+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin |
Bioorg Med Chem Lett 24: 780-5 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348189
(CHEMBL1800878)Show SMILES CNCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C10H18N4O5S/c1-11-4-2-5-12-10(16)13-6-3-7-8(13)9(15)14(7)20(17,18)19/h7-8,11H,2-6H2,1H3,(H,12,16)(H,17,18,19)/t7-,8+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50347186
(CHEMBL1795569)Show InChI InChI=1S/C8H11N2O5PS/c1-15-10-7(6-3-2-4-17-6)8(11)9-5-16(12,13)14/h2-4H,5H2,1H3,(H,9,11)(H2,12,13,14)/b10-7- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM50347181
(CHEMBL1795564)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(NC(=O)C(Cl)(Cl)Cl)s1 Show InChI InChI=1S/C16H12Cl3FN5O6PS/c1-30-25-12(11-6-22-15(33-11)24-14(27)16(17,18)19)13(26)23-7-32(28,29)31-9-3-2-8(5-21)10(20)4-9/h2-4,6H,7H2,1H3,(H,23,26)(H,28,29)(H,22,24,27)/b25-12- | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Acinetobacter baumannii beta lactamase OXA-40 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM50347181
(CHEMBL1795564)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(NC(=O)C(Cl)(Cl)Cl)s1 Show InChI InChI=1S/C16H12Cl3FN5O6PS/c1-30-25-12(11-6-22-15(33-11)24-14(27)16(17,18)19)13(26)23-7-32(28,29)31-9-3-2-8(5-21)10(20)4-9/h2-4,6H,7H2,1H3,(H,23,26)(H,28,29)(H,22,24,27)/b25-12- | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Acinetobacter baumannii beta lactamase OXA-40 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase SHV-5
(Klebsiella pneumoniae) | BDBM50347183
(CHEMBL1795566)Show SMILES CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22)/b19-14- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Klebsiella pneumoniae beta lactamase SHV-5 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM98824
(US8487093, 222)Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CCNCC2)C1=O |r| Show InChI InChI=1S/C12H19N3O7S/c16-11(21-9-3-5-13-6-4-9)10-2-1-8-7-14(10)12(17)15(8)22-23(18,19)20/h8-10,13H,1-7H2,(H,18,19,20)/t8-,10+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin |
Bioorg Med Chem Lett 24: 780-5 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa (PAO1)) | BDBM50348184
(CHEMBL1800873)Show SMILES NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C6H9N3O5S/c7-6(11)8-2-1-3-4(8)5(10)9(3)15(12,13)14/h3-4H,1-2H2,(H2,7,11)(H,12,13,14)/t3-,4+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay |
Bioorg Med Chem Lett 21: 4267-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM50347184
(CHEMBL1795567)Show SMILES CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 Show InChI InChI=1S/C15H13FN3O5PS/c1-23-19-14(13-3-2-6-26-13)15(20)18-9-25(21,22)24-11-5-4-10(8-17)12(16)7-11/h2-7H,9H2,1H3,(H,18,20)(H,21,22)/b19-14+ | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Acinetobacter baumannii beta lactamase OXA-40 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM98791
(US8487093, 178)Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cccnc2)C1=O |r| Show InChI InChI=1S/C12H14N4O6S/c17-11(14-8-2-1-5-13-6-8)10-4-3-9-7-15(10)12(18)16(9)22-23(19,20)21/h1-2,5-6,9-10H,3-4,7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin |
Bioorg Med Chem Lett 24: 780-5 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41 |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM50447649
(CHEMBL3112746)Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccncc2)C1=O |r| Show InChI InChI=1S/C12H14N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h3-6,9-10H,1-2,7H2,(H,13,14,17)(H,19,20,21)/t9-,10+/m1/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Labs
Curated by ChEMBL
| Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin |
Bioorg Med Chem Lett 24: 780-5 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41 |
More data for this Ligand-Target Pair | |
Oxa40
(Acinetobacter baumannii) | BDBM50347185
(CHEMBL1795568)Show SMILES OP(=O)(CNC(=O)C(N=O)c1cccs1)Oc1ccc(C#N)c(F)c1 Show InChI InChI=1S/C14H11FN3O5PS/c15-11-6-10(4-3-9(11)7-16)23-24(21,22)8-17-14(19)13(18-20)12-2-1-5-25-12/h1-6,13H,8H2,(H,17,19)(H,21,22) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Acinetobacter baumannii beta lactamase OXA-40 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50347186
(CHEMBL1795569)Show InChI InChI=1S/C8H11N2O5PS/c1-15-10-7(6-3-2-4-17-6)8(11)9-5-16(12,13)14/h2-4H,5H2,1H3,(H,9,11)(H2,12,13,14)/b10-7- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter cloacae beta lactamase P99 |
Bioorg Med Chem Lett 21: 4363-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.122 BindingDB Entry DOI: 10.7270/Q24Q7V94 |
More data for this Ligand-Target Pair | |