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BDBM50325634 (4-amino-3-chlorophenyl)(2-propylpyrrolidin-2-yl)methanone::CHEMBL1224089

SMILES: CCCC1(CCCN1)C(=O)c1ccc(N)c(Cl)c1

InChI Key: InChIKey=WVZMHYCNWMCWBJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325634   
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))
BDBM50325634
PNG
((4-amino-3-chlorophenyl)(2-propylpyrrolidin-2-yl)m...)
Show SMILES CCCC1(CCCN1)C(=O)c1ccc(N)c(Cl)c1
Show InChI InChI=1S/C14H19ClN2O/c1-2-6-14(7-3-8-17-14)13(18)10-4-5-12(16)11(15)9-10/h4-5,9,17H,2-3,6-8,16H2,1H3
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PC sid
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Article
PubMed
n/an/a 7.00E+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))
BDBM50325634
PNG
((4-amino-3-chlorophenyl)(2-propylpyrrolidin-2-yl)m...)
Show SMILES CCCC1(CCCN1)C(=O)c1ccc(N)c(Cl)c1
Show InChI InChI=1S/C14H19ClN2O/c1-2-6-14(7-3-8-17-14)13(18)10-4-5-12(16)11(15)9-10/h4-5,9,17H,2-3,6-8,16H2,1H3
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