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BDBM50396236 CHEMBL2172210

SMILES: CNCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O

InChI Key: InChIKey=OCXISFCAUYVRDO-UHFFFAOYSA-N

Data: 2 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 = 50396236   
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))
BDBM50396236
PNG
(CHEMBL2172210)
Show SMILES CNCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22-9-4-10-23-18-14-5-2-3-6-15(14)19(24)17(18)13-8-7-12(21)11-16(13)20(23)25/h2-3,5-8,11,22H,4,9-10,21H2,1H3
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 1.52E+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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50396236
PNG
(CHEMBL2172210)
Show SMILES CNCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22-9-4-10-23-18-14-5-2-3-6-15(14)19(24)17(18)13-8-7-12(21)11-16(13)20(23)25/h2-3,5-8,11,22H,4,9-10,21H2,1H3
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 9.96E+3n/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in african green monkey COS1 cells assessed as induction of RXRE transcriptional activity after 12 hrs b...


J Med Chem 55: 5965-81 (2012)


Article DOI: 10.1021/jm3006806
BindingDB Entry DOI: 10.7270/Q2QR4Z7Z
More data for this
Ligand-Target Pair