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SMILES: Clc1cccc(CSCc2ccc(o2)C(=O)NCc2ccc3OCOc3c2)c1

InChI Key: InChIKey=ROIFNJOAZXPPKB-UHFFFAOYSA-N

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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 = 43215   
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
Cell division control protein 42 homolog


(Homo sapiens (Human))		BDBM43215
PNG
(5-[[(3-chlorobenzyl)thio]methyl]-N-piperonyl-2-fur...)
Show SMILES Clc1cccc(CSCc2ccc(o2)C(=O)NCc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C21H18ClNO4S/c22-16-3-1-2-15(8-16)11-28-12-17-5-7-19(27-17)21(24)23-10-14-4-6-18-20(9-14)26-13-25-18/h1-9H,10-13H2,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.06E+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-rela...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair