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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450-C17 (CYP17A1)' and Ligand = 'BDBM330397'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450-C17 (CYP17A1)


(Bos taurus (Bovine))
BDBM330397
PNG
(US9725436, Entry 16)
Show SMILES Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C[N+]#[C-])c1
Show InChI InChI=1S/C24H24FN5O2S/c1-26-19-33(31,32)30-12-10-29(11-13-30)24-6-4-20(5-7-24)2-3-21-14-22(16-23(25)15-21)17-28-9-8-27-18-28/h2-9,14-16,18H,10-13,17,19H2/b3-2+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 86n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp17 assay protocol: AD293 cells that stably over-express recombinant CYP-17 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450-C17 (CYP17A1)


(Bos taurus (Bovine))
BDBM330397
PNG
(US9725436, Entry 16)
Show SMILES Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C[N+]#[C-])c1
Show InChI InChI=1S/C24H24FN5O2S/c1-26-19-33(31,32)30-12-10-29(11-13-30)24-6-4-20(5-7-24)2-3-21-14-22(16-23(25)15-21)17-28-9-8-27-18-28/h2-9,14-16,18H,10-13,17,19H2/b3-2+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp21 assay protocol: AD293 cells that stably over-express recombinant CYP-21 were seeded in 96 well plates coated with poly D-lysine (10,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair