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BDBM50342167 CHEMBL1766169::rac-1-[1,1'-biphenyl]-3-yl-1-(1H-imidazol-4-yl)-2-methyl-1-propanol

SMILES: CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=MSYJBDGOMUPKGB-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50342167   
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


(Rattus norvegicus (Rat))
BDBM50342167
PNG
(CHEMBL1766169 | rac-1-[1,1'-biphenyl]-3-yl-1-(1H-i...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-14(2)19(22,18-12-20-13-21-18)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14,22H,1-2H3,(H,20,21)
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Article
PubMed
n/an/a 15n/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: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50342167
PNG
(CHEMBL1766169 | rac-1-[1,1'-biphenyl]-3-yl-1-(1H-i...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-14(2)19(22,18-12-20-13-21-18)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14,22H,1-2H3,(H,20,21)
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 after 30 mins


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50342167
PNG
(CHEMBL1766169 | rac-1-[1,1'-biphenyl]-3-yl-1-(1H-i...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-14(2)19(22,18-12-20-13-21-18)17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14,22H,1-2H3,(H,20,21)
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 17,20 lyase activity


Bioorg Med Chem 19: 2428-42 (2011)


Article DOI: 10.1016/j.bmc.2011.02.009
BindingDB Entry DOI: 10.7270/Q2FJ2H3G
More data for this
Ligand-Target Pair