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BDBM94036 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid::3-[[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid::MLS001181323::SMR000502559::cid_967677

SMILES: OC(=O)c1cccc(CSc2nnc(o2)-c2ccc(Cl)cc2)c1

InChI Key: InChIKey=MQDAIDCUEBTDPQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 94036   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM94036
PNG
(3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfan...)
Show SMILES OC(=O)c1cccc(CSc2nnc(o2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H11ClN2O3S/c17-13-6-4-11(5-7-13)14-18-19-16(22-14)23-9-10-2-1-3-12(8-10)15(20)21/h1-8H,9H2,(H,20,21)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.97E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair