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BDBM96413 6-(2-furanyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid::6-(2-furyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid::6-(furan-2-yl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid::6-(furan-2-yl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid::MLS000060726::SMR000066316::US9394303, 2::cid_2998778

SMILES: Cc1nn(-c2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1

InChI Key: InChIKey=ZOUZSYLRQPADOJ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 = 96413   
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
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM96413
PNG
(6-(2-furanyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]p...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C18H13N3O3/c1-11-16-13(18(22)23)10-14(15-8-5-9-24-15)19-17(16)21(20-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

US Patent
4.25E+3 -7.32 2.21E+4n/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM96413
PNG
(6-(2-furanyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]p...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C18H13N3O3/c1-11-16-13(18(22)23)10-14(15-8-5-9-24-15)19-17(16)21(20-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair