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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50274954   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50274954
PNG
(5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxamid...)
Show SMILES NC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1S/C20H21N3O/c21-19(24)18-11-15-10-16(6-7-17(15)23-18)20(8-9-22-13-20)12-14-4-2-1-3-5-14/h1-7,10-11,22-23H,8-9,12-13H2,(H2,21,24)
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) by fluorescence based assay


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50274954
PNG
(5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxamid...)
Show SMILES NC(=O)c1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1S/C20H21N3O/c21-19(24)18-11-15-10-16(6-7-17(15)23-18)20(8-9-22-13-20)12-14-4-2-1-3-5-14/h1-7,10-11,22-23H,8-9,12-13H2,(H2,21,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair