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BDBM50342191 (R)-N-(4'-(1-hydroxy-1-(1H-imidazol-4-yl)propyl)biphenyl-3-yl)acetamide::CHEMBL1766192

SMILES: CC[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1

InChI Key: InChIKey=LSNINMQJLNWRJL-HXUWFJFHSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50342191   
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))
BDBM50342191
PNG
((R)-N-(4'-(1-hydroxy-1-(1H-imidazol-4-yl)propyl)bi...)
Show SMILES CC[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C20H21N3O2/c1-3-20(25,19-12-21-13-22-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)23-14(2)24/h4-13,25H,3H2,1-2H3,(H,21,22)(H,23,24)/t20-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Takeda Pharmaceutical Co., 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 3A


(Homo sapiens (Human))
BDBM50342191
PNG
((R)-N-(4'-(1-hydroxy-1-(1H-imidazol-4-yl)propyl)bi...)
Show SMILES CC[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C20H21N3O2/c1-3-20(25,19-12-21-13-22-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)23-14(2)24/h4-13,25H,3H2,1-2H3,(H,21,22)(H,23,24)/t20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., 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))
BDBM50342191
PNG
((R)-N-(4'-(1-hydroxy-1-(1H-imidazol-4-yl)propyl)bi...)
Show SMILES CC[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C20H21N3O2/c1-3-20(25,19-12-21-13-22-19)17-9-7-15(8-10-17)16-5-4-6-18(11-16)23-14(2)24/h4-13,25H,3H2,1-2H3,(H,21,22)(H,23,24)/t20-/m1/s1
PDB

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UniProtKB/TrEMBL

B.MOAD
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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Takeda Pharmaceutical Co., 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