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BDBM50264974 (S)-5-fluoro-1-(4-(3-(3-isopropylpyrrolidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole::CHEMBL521566

SMILES: CC(C)[C@@H]1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1

InChI Key: InChIKey=SCAVCNGNYHPFKS-OAQYLSRUSA-N

Data: 2 KI

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 = 50264974   
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264974
PNG
((S)-5-fluoro-1-(4-(3-(3-isopropylpyrrolidin-1-yl)p...)
Show SMILES CC(C)[C@@H]1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 |r|
Show InChI InChI=1S/C28H31FN4O/c1-20(2)21-13-16-32(19-21)15-5-17-34-24-10-8-23(9-11-24)33-27-12-7-22(29)18-26(27)31-28(33)25-6-3-4-14-30-25/h3-4,6-12,14,18,20-21H,5,13,15-17,19H2,1-2H3/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50264974
PNG
((S)-5-fluoro-1-(4-(3-(3-isopropylpyrrolidin-1-yl)p...)
Show SMILES CC(C)[C@@H]1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 |r|
Show InChI InChI=1S/C28H31FN4O/c1-20(2)21-13-16-32(19-21)15-5-17-34-24-10-8-23(9-11-24)33-27-12-7-22(29)18-26(27)31-28(33)25-6-3-4-14-30-25/h3-4,6-12,14,18,20-21H,5,13,15-17,19H2,1-2H3/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair