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BDBM50325636 (1H-indazol-5-yl)(2-propylpyrrolidin-2-yl)methanone::CHEMBL1224092

SMILES: CCCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1

InChI Key: InChIKey=FTQBIVFBXYAAQX-UHFFFAOYSA-N

Data: 2 IC50

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 = 50325636   
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))
BDBM50325636
PNG
((1H-indazol-5-yl)(2-propylpyrrolidin-2-yl)methanon...)
Show SMILES CCCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H19N3O/c1-2-6-15(7-3-8-16-15)14(19)11-4-5-13-12(9-11)10-17-18-13/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,17,18)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+4n/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))
BDBM50325636
PNG
((1H-indazol-5-yl)(2-propylpyrrolidin-2-yl)methanon...)
Show SMILES CCCC1(CCCN1)C(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H19N3O/c1-2-6-15(7-3-8-16-15)14(19)11-4-5-13-12(9-11)10-17-18-13/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,17,18)
PDB
MMDB

Reactome pathway
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