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BDBM43547 (3-Cyano-2-methyl-indol-1-yl)-acetic acid::2-(3-cyano-2-methyl-1-indolyl)acetic acid::2-(3-cyano-2-methyl-indol-1-yl)acetic acid::2-(3-cyano-2-methyl-indol-1-yl)ethanoic acid::2-(3-cyano-2-methylindol-1-yl)acetic acid::MLS000075634::SMR000013849::cid_653215

SMILES: Cc1c(C#N)c2ccccc2n1CC(O)=O

InChI Key: InChIKey=JKRYSSLJLLGUDE-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 43547   
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
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM43547
PNG
((3-Cyano-2-methyl-indol-1-yl)-acetic acid | 2-(3-c...)
Show SMILES Cc1c(C#N)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C12H10N2O2/c1-8-10(6-13)9-4-2-3-5-11(9)14(8)7-12(15)16/h2-5H,7H2,1H3,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM43547
PNG
((3-Cyano-2-methyl-indol-1-yl)-acetic acid | 2-(3-c...)
Show SMILES Cc1c(C#N)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C12H10N2O2/c1-8-10(6-13)9-4-2-3-5-11(9)14(8)7-12(15)16/h2-5H,7H2,1H3,(H,15,16)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.10E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair