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BDBM47560 1-(2-furanylmethyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-oxo-3-pyrrolidinecarboxamide::1-(2-furfuryl)-5-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrrolidine-3-carboxamide::1-(furan-2-ylmethyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide::1-(furan-2-ylmethyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide::MLS000098299::SMR000067002::cid_2998718

SMILES: CSc1nc2ccc(NC(=O)C3CN(Cc4ccco4)C(=O)C3)cc2s1

InChI Key: InChIKey=NMEKSKJYUMLFBG-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 = 47560   
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
glutathione S-transferase


(Homo sapiens (Human))		BDBM47560
PNG
(1-(2-furanylmethyl)-N-[2-(methylthio)-1,3-benzothi...)
Show SMILES CSc1nc2ccc(NC(=O)C3CN(Cc4ccco4)C(=O)C3)cc2s1
Show InChI InChI=1S/C18H17N3O3S2/c1-25-18-20-14-5-4-12(8-15(14)26-18)19-17(23)11-7-16(22)21(9-11)10-13-3-2-6-24-13/h2-6,8,11H,7,9-10H2,1H3,(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.69E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair