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BDBM50338349 CHEMBL1682890::rac-N'-{6-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]-2-naphthyl}-N-methylurea

SMILES: CNC(=O)Nc1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1

InChI Key: InChIKey=UARNBGAVALRVSI-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50338349   
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 17A1


(Homo sapiens (Human))
BDBM50338349
PNG
(CHEMBL1682890 | rac-N'-{6-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CNC(=O)Nc1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H22N4O2/c1-12(2)19(25,17-10-21-11-22-17)15-6-4-14-9-16(23-18(24)20-3)7-5-13(14)8-15/h4-12,25H,1-3H3,(H,21,22)(H2,20,23,24)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in human


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50338349
PNG
(CHEMBL1682890 | rac-N'-{6-[1-Hydroxy-1-(1H-imidazo...)
Show SMILES CNC(=O)Nc1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
Show InChI InChI=1S/C19H22N4O2/c1-12(2)19(25,17-10-21-11-22-17)15-6-4-14-9-16(23-18(24)20-3)7-5-13(14)8-15/h4-12,25H,1-3H3,(H,21,22)(H2,20,23,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair