BDBM50046818 CHEMBL3310464
SMILES: Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
InChI Key: InChIKey=VESBRLWXQGRPDG-RGVLZGJSSA-N
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 |
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MurD (Escherichia coli (strain K12)) | BDBM50046818 (CHEMBL3310464) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Competitive inhibition of Escherichia coli MurD using D-Glu substrate by steady-state enzyme kinetics assay | Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurD (Escherichia coli (strain K12)) | BDBM50046818 (CHEMBL3310464) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Partial non-competitive inhibition of Escherichia coli MurD using UMA substrate by steady-state enzyme kinetics assay | Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurD (Escherichia coli (strain K12)) | BDBM50046818 (CHEMBL3310464) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Partial un-competitive inhibition of Escherichia coli MurD using ATP substrate by steady-state enzyme kinetics assay | Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurF (Escherichia coli) | BDBM50046818 (CHEMBL3310464) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Inhibition of Escherichia coli MurF after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay | Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurD (Escherichia coli (strain K12)) | BDBM50046818 (CHEMBL3310464) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Inhibition of Escherichia coli MurD after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay | Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurC (Escherichia coli) | BDBM50046818 (CHEMBL3310464) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Inhibition of Escherichia coli MurC after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay | Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Escherichia coli (strain K12)) | BDBM50046818 (CHEMBL3310464) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay | Bioorg Med Chem 22: 4124-34 (2014) Article DOI: 10.1016/j.bmc.2014.05.058 BindingDB Entry DOI: 10.7270/Q2SB47CJ | |||||||||||
More data for this Ligand-Target Pair |