Found 89 hits of ic50 for UniProtKB: P25910 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212643
(CHEMBL308516)Show SMILES [H][C@]12S[C@@](C)(CSc3nc4ccccc4s3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C15H13BrN2O3S3/c1-15(6-22-14-17-7-4-2-3-5-8(7)23-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10+,12-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 6.74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50149466
(CHEMBL124416 | Sodium; (R)-6-[1-(5,6-dihydro-4H-py...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S/c17-11-9(12-16(11)10(6-20-12)13(18)19)5-7-4-8-2-1-3-15(8)14-7/h4-6,12H,1-3H2,(H,18,19)/p-1/b9-5-/t12-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Class B (CCRA) beta-Lactamases |
J Med Chem 47: 3674-88 (2004)
Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212642
(CHEMBL70269)Show SMILES [H][C@]12S[C@@](C)(CSc3nc4ccccc4o3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C15H13BrN2O4S2/c1-15(6-23-14-17-7-4-2-3-5-8(7)22-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10+,12-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 23.3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212636
(CHEMBL310221)Show SMILES [H][C@]12S[C@@](C)(CSC3=NCCS3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O |t:7| Show InChI InChI=1S/C11H13BrN2O3S3/c1-11(4-19-10-13-2-3-18-10)6(9(16)17)14-7(15)5(12)8(14)20-11/h5-6,8H,2-4H2,1H3,(H,16,17)/t5-,6+,8-,11+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 32.7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212635
(CHEMBL415266)Show SMILES [H][C@]12S[C@@](C)(CSc3nnnn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H12BrN5O3S2/c1-10(3-20-9-12-13-14-15(9)2)5(8(18)19)16-6(17)4(11)7(16)21-10/h4-5,7H,3H2,1-2H3,(H,18,19)/t4-,5+,7-,10+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 40.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212641
(Brobactam)Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 46.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212645
(CHEMBL305908)Show SMILES [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 65.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50149468
(CHEMBL263746 | Sodium; (R)-6-[1-(5,6-dihydro-8H-im...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2COCCn12 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-14-10-5-20-2-1-15(7)10/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Class B (CCRA) beta-Lactamases |
J Med Chem 47: 3674-88 (2004)
Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50157693
((5R,6Z)-6-[(7-chloroimidazo[2,1-b][1,3]-benzothiaz...)Show SMILES [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1cc(Cl)ccc21 |r,t:4| Show InChI InChI=1S/C16H8ClN3O3S2.Na/c17-7-1-2-10-12(3-7)25-16-18-8(5-19(10)16)4-9-13(21)20-11(15(22)23)6-24-14(9)20;/h1-6,14H,(H,22,23);/q;+1/p-1/b9-4-;/t14-;/m1./s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
J Med Chem 47: 6556-68 (2004)
Article DOI: 10.1021/jm049680x
BindingDB Entry DOI: 10.7270/Q2542N22 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212644
(CHEMBL73450)Show SMILES [H][C@]12S[C@@](C)(CSc3nccn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O Show InChI InChI=1S/C12H14BrN3O3S2/c1-12(5-20-11-14-3-4-15(11)2)7(10(18)19)16-8(17)6(13)9(16)21-12/h3-4,6-7,9H,5H2,1-2H3,(H,18,19)/t6-,7+,9-,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 81.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50157688
((5R,6Z)-6-[(7-methylimidazo[2,1-b][1,3]-benzothiaz...)Show SMILES Cc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16| Show InChI InChI=1S/C17H11N3O3S2.Na/c1-8-2-3-11-13(4-8)25-17-18-9(6-19(11)17)5-10-14(21)20-12(16(22)23)7-24-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-5-;/t15-;/m1./s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
J Med Chem 47: 6556-68 (2004)
Article DOI: 10.1021/jm049680x
BindingDB Entry DOI: 10.7270/Q2542N22 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50149467
((5R,6Z)-6-(6,7-dihydro-5H-cyclopenta-[d]imidazo[2,...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3| Show InChI InChI=1S/C15H11N3O3S2/c19-12-8(13-18(12)10(6-22-13)14(20)21)4-7-5-17-9-2-1-3-11(9)23-15(17)16-7/h4-6,13H,1-3H2,(H,20,21)/p-1/b8-4-/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
J Med Chem 47: 6556-68 (2004)
Article DOI: 10.1021/jm049680x
BindingDB Entry DOI: 10.7270/Q2542N22 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50149467
((5R,6Z)-6-(6,7-dihydro-5H-cyclopenta-[d]imidazo[2,...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3| Show InChI InChI=1S/C15H11N3O3S2/c19-12-8(13-18(12)10(6-22-13)14(20)21)4-7-5-17-9-2-1-3-11(9)23-15(17)16-7/h4-6,13H,1-3H2,(H,20,21)/p-1/b8-4-/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Class B (CCRA) beta-Lactamases |
J Med Chem 47: 3674-88 (2004)
Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50157691
((5R,6Z)-6-[(7-methoxyimidazo[2,1-b][1,3]-benzothia...)Show SMILES COc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:17| Show InChI InChI=1S/C17H11N3O4S2.Na/c1-24-9-2-3-11-13(5-9)26-17-18-8(6-19(11)17)4-10-14(21)20-12(16(22)23)7-25-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-4-;/t15-;/m1./s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
J Med Chem 47: 6556-68 (2004)
Article DOI: 10.1021/jm049680x
BindingDB Entry DOI: 10.7270/Q2542N22 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50021959
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50008098
(CHEMBL3234725)Show SMILES C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1c2ccccc2c2ccccc12 Show InChI InChI=1S/C26H19N5/c1-2-10-23(26-27-29-30-28-26)20(7-1)19-15-13-18(14-16-19)17-31-24-11-5-3-8-21(24)22-9-4-6-12-25(22)31/h1-16H,17H2,(H,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Competitive inhibition of Bacteroides fragilis metallo-beta-lactamase CcrA |
Eur J Med Chem 76: 132-44 (2014)
Article DOI: 10.1016/j.ejmech.2014.02.008
BindingDB Entry DOI: 10.7270/Q2T43VM0 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50149469
(CHEMBL331090 | Sodium; (R)-7-oxo-6-[1-(5,6,7,8-tet...)Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-8(12-17(11)9(6-21-12)13(19)20)3-7-4-15-10-5-14-1-2-16(7)10/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b8-3-/t12-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Class B (CCRA) beta-Lactamases |
J Med Chem 47: 3674-88 (2004)
Article DOI: 10.1021/jm049903j
BindingDB Entry DOI: 10.7270/Q2MK6CCT |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
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 | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50157689
((5R,6Z)-6-(imidazo[2,1-b][1,3]benzothiazol-2-ylmet...)Show SMILES [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1ccccc21 |r,t:4| Show InChI InChI=1S/C16H9N3O3S2.Na/c20-13-9(14-19(13)11(7-23-14)15(21)22)5-8-6-18-10-3-1-2-4-12(10)24-16(18)17-8;/h1-7,14H,(H,21,22);/q;+1/p-1/b9-5-;/t14-;/m1./s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
J Med Chem 47: 6556-68 (2004)
Article DOI: 10.1021/jm049680x
BindingDB Entry DOI: 10.7270/Q2542N22 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50157687
((5R,6Z)-6-[(5-methylimidazo[2,1-b][1,3]-benzothiaz...)Show SMILES Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14| Show InChI InChI=1S/C17H11N3O3S2.Na/c1-8-3-2-4-12-13(8)19-6-9(18-17(19)25-12)5-10-14(21)20-11(16(22)23)7-24-15(10)20;/h2-7,15H,1H3,(H,22,23);/q;+1/p-1/b10-5-;/t15-;/m1./s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
J Med Chem 47: 6556-68 (2004)
Article DOI: 10.1021/jm049680x
BindingDB Entry DOI: 10.7270/Q2542N22 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50157694
((5R,6Z)-6-[(7-fluoroimidazo[2,1-b][1,3]-benzothiaz...)Show SMILES Fc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16| Show InChI InChI=1S/C16H8FN3O3S2.Na/c17-7-1-2-10-12(3-7)25-16-18-8(5-19(10)16)4-9-13(21)20-11(15(22)23)6-24-14(9)20;/h1-6,14H,(H,22,23);/q;+1/p-1/b9-4-;/t14-;/m1./s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Bacteroides fragilis CcrA |
J Med Chem 47: 6556-68 (2004)
Article DOI: 10.1021/jm049680x
BindingDB Entry DOI: 10.7270/Q2542N22 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212640
(CHEMBL423309)Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O Show InChI InChI=1S/C11H14N4O5S2/c1-11(4-21-10-13-12-5-14(10)2)8(9(17)18)15-6(16)3-7(15)22(11,19)20/h5,7-8H,3-4H2,1-2H3,(H,17,18)/t7-,8+,11+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 721 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212637
(CHEMBL72046)Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSC1=NCCS1)S2(=O)=O |t:15| Show InChI InChI=1S/C11H14N2O5S3/c1-11(5-20-10-12-2-3-19-10)8(9(15)16)13-6(14)4-7(13)21(11,17)18/h7-8H,2-5H2,1H3,(H,15,16)/t7-,8+,11+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 913 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212634
(CHEMBL309009)Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3o1)S2(=O)=O Show InChI InChI=1S/C15H14N2O6S2/c1-15(7-24-14-16-8-4-2-3-5-9(8)23-14)12(13(19)20)17-10(18)6-11(17)25(15,21)22/h2-5,11-12H,6-7H2,1H3,(H,19,20)/t11-,12+,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212638
(CHEMBL302512)Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212646
(CHEMBL72972)Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3[nH]1)S2(=O)=O Show InChI InChI=1S/C15H15N3O5S2/c1-15(7-24-14-16-8-4-2-3-5-9(8)17-14)12(13(20)21)18-10(19)6-11(18)25(15,22)23/h2-5,11-12H,6-7H2,1H3,(H,16,17)(H,20,21)/t11-,12+,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50099186
((2S,5S)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...)Show SMILES COC(=O)\C=C\CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against CCRA enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50099184
((2S,5R,6R)-6-[1-(4-Amino-phenyl)-1H-[1,2,3]triazol...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(N)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H19N5O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7,18H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against CCRA enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50099190
((2S,5R,6R)-6-[1-(4-Hydroxy-phenyl)-1H-[1,2,3]triaz...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(O)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H18N4O6S/c1-17(2)13(16(24)25)21-14(23)12(15(21)28(17,26)27)7-9-8-20(19-18-9)10-3-5-11(22)6-4-10/h3-6,8,12-13,15,22H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against CCRA enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50021954
((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...)Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50053173
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | n/a | n/a | 2.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50212639
(CHEMBL302241)Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nccn1C)S2(=O)=O Show InChI InChI=1S/C12H15N3O5S2/c1-12(6-21-11-13-3-4-14(11)2)9(10(17)18)15-7(16)5-8(15)22(12,19)20/h3-4,8-9H,5-6H2,1-2H3,(H,17,18)/t8-,9+,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZW1P2T |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50099188
((2S,5S)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...)Show SMILES CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3| Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against CCRA enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50099191
((2S,5S)-6-((E)-3-Cyano-allyl)-3,3-dimethyl-4,4,7-t...)Show SMILES CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C12H14N2O5S/c1-12(2)8(11(16)17)14-9(15)7(5-3-4-6-13)10(14)20(12,18)19/h3-4,7-8,10H,5H2,1-2H3,(H,16,17)/b4-3+/t7?,8-,10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against CCRA enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50099193
((2S,5R,6R)-6-[1-(4-Fluoro-phenyl)-1H-[1,2,3]triazo...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(F)cc3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C17H17FN4O5S/c1-17(2)13(16(24)25)22-14(23)12(15(22)28(17,26)27)7-10-8-21(20-19-10)11-5-3-9(18)4-6-11/h3-6,8,12-13,15H,7H2,1-2H3,(H,24,25)/t12-,13+,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against CCRA enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50042557
(5-Butyl-2-(2-nitro-phenyl)-4-[2'-(1H-tetrazol-5-yl...)Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C30H29N7O4/c1-3-5-12-25-24(28(30(38)41-4-2)36(33-25)26-13-8-9-14-27(26)37(39)40)19-20-15-17-21(18-16-20)22-10-6-7-11-23(22)29-31-34-35-32-29/h6-11,13-18H,3-5,12,19H2,1-2H3,(H,31,32,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis. |
Bioorg Med Chem Lett 9: 2741-6 (1999)
BindingDB Entry DOI: 10.7270/Q24Q7T6C |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacteroides fragilis) | BDBM50099185
((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(1-pyrrolid...)Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C16H23N5O5S/c1-16(2)12(15(23)24)21-13(22)11(14(21)27(16,25)26)6-10-8-20(19-18-10)7-9-4-3-5-17-9/h8-9,11-12,14,17H,3-7H2,1-2H3,(H,23,24)/t9?,11-,12+,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against CCRA enzyme |
Bioorg Med Chem Lett 11: 997-1000 (2001)
BindingDB Entry DOI: 10.7270/Q2W958G8 |
More data for this
Ligand-Target Pair | |
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