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BDBM50425054 CHEMBL2312904

SMILES: CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)C#N

InChI Key: InChIKey=YQANUQAHLBEXHV-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 = 50425054   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50425054
PNG
(CHEMBL2312904)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)C#N
Show InChI InChI=1S/C22H19N3O2/c1-24(2)10-5-11-25-20-16-6-3-4-7-17(16)21(26)19(20)15-9-8-14(13-23)12-18(15)22(25)27/h3-4,6-9,12H,5,10-11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.07E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Activation of human RXRalpha activity expressed in COS1 cells after 12 hrs by RXRE-luciferase reporter gene assay


J Med Chem 56: 2581-605 (2013)


Article DOI: 10.1021/jm400026k
BindingDB Entry DOI: 10.7270/Q2G44RNG
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425054
PNG
(CHEMBL2312904)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)C#N
Show InChI InChI=1S/C22H19N3O2/c1-24(2)10-5-11-25-20-16-6-3-4-7-17(16)21(26)19(20)15-9-8-14(13-23)12-18(15)22(25)27/h3-4,6-9,12H,5,10-11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair