BDBM31926 carbohydrazide derivative, 3i
SMILES: Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Cl)cc2)c(O)c1Br
InChI Key: InChIKey=ZDMUFSJTENTNDA-NGYBGAFCSA-N
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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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NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human)) | BDBM31926 (carbohydrazide derivative, 3i) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-... | J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) (Helicobacter pylori (Campylobacter pylori)) | BDBM31926 (carbohydrazide derivative, 3i) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Shanghai Institute of Materia Medica | Assay Description The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decr... | J Med Chem 52: 2465-81 (2009) Article DOI: 10.1021/jm8015602 BindingDB Entry DOI: 10.7270/Q2ZK5F1W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |