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BDBM22421 (cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]amine::Indole compound 1b

SMILES: C(NCc1cn(-c2ccccc2)c2ccccc12)C1CCCCC1

InChI Key: InChIKey=RGRGORMCSWGRSY-UHFFFAOYSA-N

Data: 1 IC50  2 ITC

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 = 22421   
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
Estrogen-Related Receptor, alpha


(Homo sapiens (Human))
BDBM22421
PNG
((cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]...)
Show SMILES C(NCc1cn(-c2ccccc2)c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C22H26N2/c1-3-9-18(10-4-1)15-23-16-19-17-24(20-11-5-2-6-12-20)22-14-8-7-13-21(19)22/h2,5-8,11-14,17-18,23H,1,3-4,9-10,15-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/a7.520



Novartis



Assay Description
The IC50s of compounds were determined in the FRET assay, which was conducted as time-resolved measurement (TR-FRET) in a 1536 well plate format. The...


J Biol Chem 282: 23231-9 (2007)


Article DOI: 10.1074/jbc.M703337200
BindingDB Entry DOI: 10.7270/Q21N7ZFJ
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 22421
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Estrogen-Related Receptor, alpha

(Homo sapiens (Human))
BDBM22421
JPEG
((cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]...)
GoogleScholar
PDB
PC cid
PC sid
n/a4.29-12.76.117.525



Novartis





J Biol Chem 282: 23231-9 (2007)

Estrogen-Related Receptor, alpha Mutant (C325S)

(Homo sapiens (Human))
BDBM22421
JPEG
((cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]...)
GoogleScholar
PDB
PC cid
PC sid
n/a4.69-13.06.037.525



Novartis





J Biol Chem 282: 23231-9 (2007)