Found 58 hits with Last Name = 'dininno' and Initial = 'fp' 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 |
PBP2A
(Staphylococcus aureus) | BDBM50217404
(CHEMBL348278)Show SMILES [Na+].[H][C@]12[C@@H](C)C(CN3C(=O)c4cccc5cccc(C3=O)c45)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:23| Show InChI InChI=1S/C23H20N2O6/c1-10-15(19(23(30)31)25-18(10)16(11(2)26)22(25)29)9-24-20(27)13-7-3-5-12-6-4-8-14(17(12)13)21(24)28/h3-8,10-11,16,18,26H,9H2,1-2H3,(H,30,31)/p-1/t10-,11+,16+,18+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin |
Bioorg Med Chem Lett 9: 673-8 (1999)
BindingDB Entry DOI: 10.7270/Q2TF00JQ |
More data for this Ligand-Target Pair | |
PBP2A
(Staphylococcus aureus) | BDBM50217406
(CHEMBL351921)Show SMILES [Na+].[H][C@]12[C@@H](C)C(CN3C(=O)c4c(ccc5ccccc45)S3(=O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:24| Show InChI InChI=1S/C22H20N2O7S/c1-10-14(19(22(28)29)24-18(10)16(11(2)25)21(24)27)9-23-20(26)17-13-6-4-3-5-12(13)7-8-15(17)32(23,30)31/h3-8,10-11,16,18,25H,9H2,1-2H3,(H,28,29)/p-1/t10-,11+,16+,18+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin |
Bioorg Med Chem Lett 9: 673-8 (1999)
BindingDB Entry DOI: 10.7270/Q2TF00JQ |
More data for this Ligand-Target Pair | |
PBP2A
(Staphylococcus aureus) | BDBM50217407
(CHEMBL161482)Show SMILES [Na+].[H][C@]12[C@@H](C)C(CN3C(=O)c4cccc5cccc(c45)S3(=O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:24| Show InChI InChI=1S/C22H20N2O7S/c1-10-14(19(22(28)29)24-18(10)16(11(2)25)21(24)27)9-23-20(26)13-7-3-5-12-6-4-8-15(17(12)13)32(23,30)31/h3-8,10-11,16,18,25H,9H2,1-2H3,(H,28,29)/p-1/t10-,11+,16+,18+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin |
Bioorg Med Chem Lett 9: 673-8 (1999)
BindingDB Entry DOI: 10.7270/Q2TF00JQ |
More data for this Ligand-Target Pair | |
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 | |
PBP2A
(Staphylococcus aureus) | BDBM50217403
(CHEMBL161759)Show SMILES [Na+].[H][C@]12[C@@H](C)C(CN3c4cccc5cccc(N(C)S3(=O)=O)c45)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:24| Show InChI InChI=1S/C22H23N3O6S/c1-11-14(20(22(28)29)25-19(11)17(12(2)26)21(25)27)10-24-16-9-5-7-13-6-4-8-15(18(13)16)23(3)32(24,30)31/h4-9,11-12,17,19,26H,10H2,1-3H3,(H,28,29)/p-1/t11-,12+,17+,19+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin |
Bioorg Med Chem Lett 9: 673-8 (1999)
BindingDB Entry DOI: 10.7270/Q2TF00JQ |
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 | |
PBP2A
(Staphylococcus aureus) | BDBM50217402
(CHEMBL157932)Show SMILES [Na+].[H][C@]1([C@@H](C)O)C(=O)N2C(C([O-])=O)=C(CN3Cc4c(ccc5ccccc45)S3(=O)=O)[C@H](C)[C@]12[H] |t:11| Show InChI InChI=1S/C22H22N2O6S/c1-11-15(20(22(27)28)24-19(11)18(12(2)25)21(24)26)9-23-10-16-14-6-4-3-5-13(14)7-8-17(16)31(23,29)30/h3-8,11-12,18-19,25H,9-10H2,1-2H3,(H,27,28)/p-1/t11-,12+,18+,19+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin |
Bioorg Med Chem Lett 9: 673-8 (1999)
BindingDB Entry DOI: 10.7270/Q2TF00JQ |
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 | |
PBP2A
(Staphylococcus aureus) | BDBM50217405
(CHEMBL159153)Show SMILES [Na+].[H][C@]1([C@@H](C)O)C(=O)N2C(C([O-])=O)=C(CN3Cc4cccc5cccc(c45)S3(=O)=O)[C@H](C)[C@]12[H] |t:11| Show InChI InChI=1S/C22H22N2O6S/c1-11-15(20(22(27)28)24-19(11)17(12(2)25)21(24)26)10-23-9-14-7-3-5-13-6-4-8-16(18(13)14)31(23,29)30/h3-8,11-12,17,19,25H,9-10H2,1-2H3,(H,27,28)/p-1/t11-,12+,17+,19+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin |
Bioorg Med Chem Lett 9: 673-8 (1999)
BindingDB Entry DOI: 10.7270/Q2TF00JQ |
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 | |
PBP2A
(Staphylococcus aureus) | BDBM50213266
(CHEBI:471744 | Imipenem | MK-0787)Show SMILES [H][C@]12CC(SCCNC=N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O |r,c:9| Show InChI InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin |
Bioorg Med Chem Lett 9: 673-8 (1999)
BindingDB Entry DOI: 10.7270/Q2TF00JQ |
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 | |
Beta-lactamase SHV-5
(Klebsiella pneumoniae) | BDBM50315411
(4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...)Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 570 | 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 SHV5 |
Bioorg Med Chem Lett 20: 2622-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.065 BindingDB Entry DOI: 10.7270/Q2ZS2WN8 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Enterobacter cloacae) | BDBM50315411
(4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...)Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of Enterobacter colacae P99 Beta-lactamase |
Bioorg Med Chem Lett 20: 2622-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.065 BindingDB Entry DOI: 10.7270/Q2ZS2WN8 |
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)) | BDBM50315411
(4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...)Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+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 20: 2622-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.065 BindingDB Entry DOI: 10.7270/Q2ZS2WN8 |
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)) | 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
(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)) | 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 | |
Oxa40
(Acinetobacter baumannii) | BDBM50315411
(4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...)Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60E+3 | 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 OXA40 |
Bioorg Med Chem Lett 20: 2622-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.065 BindingDB Entry DOI: 10.7270/Q2ZS2WN8 |
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 | |
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) | 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 | |
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 | |
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 | |
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 SHV-5
(Klebsiella pneumoniae) | 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/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20E+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 | |
Beta-lactamase SHV-5
(Klebsiella pneumoniae) | 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/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+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 | |
Beta-lactamase SHV-5
(Klebsiella pneumoniae) | 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/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+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) | 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/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60E+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) | 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/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+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) | 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
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+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) | 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
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10E+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 SHV-5
(Klebsiella pneumoniae) | 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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+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 | |
Beta-lactamase SHV-5
(Klebsiella pneumoniae) | 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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+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) | 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
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+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 | |