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BDBM50325638 (2-(3,3-dimethylbutyl)pyrrolidin-2-yl)(1H-indazol-5-yl)methanone::CHEMBL1224094

SMILES: CC(C)(C)CCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1

InChI Key: InChIKey=WMONHIUXMOXBDS-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325638   
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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50325638
PNG
((2-(3,3-dimethylbutyl)pyrrolidin-2-yl)(1H-indazol-...)
Show SMILES CC(C)(C)CCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H25N3O/c1-17(2,3)8-9-18(7-4-10-19-18)16(22)13-5-6-15-14(11-13)12-20-21-15/h5-6,11-12,19H,4,7-10H2,1-3H3,(H,20,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 5559-66 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.020
BindingDB Entry DOI: 10.7270/Q20865HF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325638
PNG
((2-(3,3-dimethylbutyl)pyrrolidin-2-yl)(1H-indazol-...)
Show SMILES CC(C)(C)CCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C18H25N3O/c1-17(2,3)8-9-18(7-4-10-19-18)16(22)13-5-6-15-14(11-13)12-20-21-15/h5-6,11-12,19H,4,7-10H2,1-3H3,(H,20,21)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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


Bioorg Med Chem Lett 20: 5559-66 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.020
BindingDB Entry DOI: 10.7270/Q20865HF
More data for this
Ligand-Target Pair