Found 14 hits Enz. Inhib. hit(s) with Target = 'Imipenem-hydrolyzing beta-lactamase' 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 |
|---|
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191378
(CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imi...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191389
(6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191379
((5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-th...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191385
((5R,6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c]-[1,4]oxa...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191387
((5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,...)Show SMILES CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11| Show InChI InChI=1S/C14H14N4O3S/c1-16-2-3-17-5-8(15-11(17)6-16)4-9-12(19)18-10(14(20)21)7-22-13(9)18/h4-5,7,13H,2-3,6H2,1H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191381
((5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydro...)Show SMILES COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17| Show InChI InChI=1S/C22H20N2O4S2/c1-28-15-4-2-13(3-5-15)10-23-7-6-19-14(11-23)8-16(30-19)9-17-20(25)24-18(22(26)27)12-29-21(17)24/h2-5,8-9,12,21H,6-7,10-11H2,1H3,(H,26,27)/p-1/b17-9-/t21-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191380
(CHEMBL379440 | sodium (R,E)-7-oxo-6-((5,6,7,8-tetr...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-5-16-2-1-14-4-10(16)15-7/h3,5-6,12,14H,1-2,4H2,(H,19,20)/p-1/b8-3+/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191382
((5R,6Z)-7-oxo-6-{[5-(pyridin-3-ylmethyl)-4,5,6,7-t...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(Cc3cccnc3)CCc2s1 |t:3| Show InChI InChI=1S/C20H17N3O3S2/c24-18-15(19-23(18)16(11-27-19)20(25)26)7-14-6-13-10-22(5-3-17(13)28-14)9-12-2-1-4-21-8-12/h1-2,4,6-8,11,19H,3,5,9-10H2,(H,25,26)/p-1/b15-7-/t19-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191390
((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O5S2/c17-11-9(12-16(11)10(5-22-12)13(18)19)4-7-3-8-6-23(20,21)2-1-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191386
((5R)(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo-[1,5-...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3| Show InChI InChI=1S/C14H13N3O3S/c18-12-10(13-17(12)11(7-21-13)14(19)20)6-8-5-9-3-1-2-4-16(9)15-8/h5-7,13H,1-4H2,(H,19,20)/p-1/b10-6-/t13-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191377
((5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-9(12-17(11)10(6-21-12)13(19)20)4-7-3-8-5-14-1-2-16(8)15-7/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b9-4-/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191388
((5R)(6Z)-6-(6,7-5H-dihydropyrazolo[5,1-b]-oxazin-2...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)4-7-5-10-15(14-7)2-1-3-20-10/h4-6,12H,1-3H2,(H,18,19)/p-1/b8-4-/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 413 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191383
((5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]th...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
Imipenem-hydrolyzing beta-lactamase
(Enterobacter cloacae) | BDBM50191384
((5R),(6E)-6-(5,6-dihydro-8H-imidazo[2,1-c][1,4]thi...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCSCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Enterobacter cloacae Imi1 |
J Med Chem 49: 4623-37 (2006)
Article DOI: 10.1021/jm060021p
BindingDB Entry DOI: 10.7270/Q2TX3F1B |
More data for this
Ligand-Target Pair | |
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