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SMILES: Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1

InChI Key: InChIKey=XEPMLQFKEBTJEN-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 = 43219   
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))		BDBM43219
PNG
(3-[2-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-...)
Show SMILES Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN3O4/c1-13-11-19(14(2)27(13)16-9-7-15(24)8-10-16)20(28)12-26-22(29)18-6-4-3-5-17(18)21(25-26)23(30)31/h3-11H,12H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 4.80E+3n/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