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BDBM43350 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone::2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone::2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone::2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]ethanone::MLS000058066::SMR000067489::cid_2998364

SMILES: Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1CC1CCCO1

InChI Key: InChIKey=VZZHIVBYNGMNNV-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 43350   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43350
PNG
(1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-...)
Show SMILES Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1CC1CCCO1
Show InChI InChI=1S/C21H24N4O2S2/c1-14-11-18(15(2)25(14)12-17-9-6-10-27-17)19(26)13-28-21-24-23-20(29-21)22-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.04E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair