BindingDB logo
myBDB logout

null

SMILES: CCCc1cc(=O)[nH]c(N=C(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)Nc2ccccc2)n1

InChI Key: InChIKey=ZDCLMKIIAYOMBP-UHFFFAOYSA-N

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 = 40312   
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
Mothers against decapentaplegic homolog 3


(Homo sapiens (Human))		BDBM40312
PNG
(2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[[(4-oxi...)
Show SMILES CCCc1cc(=O)[nH]c(N=C(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)Nc2ccccc2)n1 |w:9.8|
Show InChI InChI=1S/C25H24N6O4/c1-3-9-17-14-20(32)28-24(27-17)30-25(26-16-10-5-4-6-11-16)29-21(33)15(2)31-22(34)18-12-7-8-13-19(18)23(31)35/h4-8,10-15H,3,9H2,1-2H3,(H3,26,27,28,29,30,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.78E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G44NQ4
More data for this
Ligand-Target Pair