BDBM47512 1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethanone::1-(4-methylphenyl)-2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone::1-(p-tolyl)-2-[[5-(8-quinolyloxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethanone::2-[5-(Quinolin-8-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-p-tolyl-ethanone::MLS000071760::SMR000003497::cid_650551
SMILES: Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1
InChI Key: InChIKey=BLNVPVBRBVPWPF-UHFFFAOYSA-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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Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...) | BDBM47512 (1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona | Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif... | Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase A1 (Bos taurus (bovine)) | BDBM47512 (1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona | Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif... | Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase B2 isoform A (Homo sapiens (Human)) | BDBM47512 (1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Autònoma de Barcelona | Assay Description The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of dif... | Chem Biol Drug Des 73: 75-82 (2009) Article DOI: 10.1111/j.1747-0285.2008.00752.x BindingDB Entry DOI: 10.7270/Q2QN658M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human)) | BDBM47512 (1-(4-methylphenyl)-2-[[5-(8-quinolinyloxymethyl)-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 8.12E+3 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M | |||||||||||
More data for this Ligand-Target Pair |