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BDBM79705 2-(4-{[1-(5-chloropyridin-2-yl)-1H-pyrrol-2-yl]methyl}-1-isobutylpiperazin-2-yl)ethanol::2-[4-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol::2-[4-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-1-(2-methylpropyl)-2-piperazinyl]ethanol::2-[4-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-1-isobutyl-piperazin-2-yl]ethanol::2-[4-[[1-(5-chloropyridin-2-yl)pyrrol-2-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol::MLS000733260::SMR000315885::cid_16187269

SMILES: CC(C)CN1CCN(Cc2cccn2-c2ccc(Cl)cn2)CC1CCO

InChI Key: InChIKey=OYSLVFNTDRXNFB-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 = 79705   
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
High-affinity choline transporter


(Homo sapiens (Human))
BDBM79705
PNG
(2-(4-{[1-(5-chloropyridin-2-yl)-1H-pyrrol-2-yl]met...)
Show SMILES CC(C)CN1CCN(Cc2cccn2-c2ccc(Cl)cn2)CC1CCO
Show InChI InChI=1S/C20H29ClN4O/c1-16(2)13-24-10-9-23(14-18(24)7-11-26)15-19-4-3-8-25(19)20-6-5-17(21)12-22-20/h3-6,8,12,16,18,26H,7,9-11,13-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.24E+3n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79705
PNG
(2-(4-{[1-(5-chloropyridin-2-yl)-1H-pyrrol-2-yl]met...)
Show SMILES CC(C)CN1CCN(Cc2cccn2-c2ccc(Cl)cn2)CC1CCO
Show InChI InChI=1S/C20H29ClN4O/c1-16(2)13-24-10-9-23(14-18(24)7-11-26)15-19-4-3-8-25(19)20-6-5-17(21)12-22-20/h3-6,8,12,16,18,26H,7,9-11,13-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.15E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair