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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B2 (CYP11B2)' and Ligand = 'BDBM279781'   
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279781
PNG
(US10035804, Example 52)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1[C@H](C)c2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C25H25ClN6O2/c1-3-31-11-17(8-28-31)23(33)30-14-25(15-30)12-29(13-25)19-7-20(10-27-9-19)32-16(2)22-6-18(26)4-5-21(22)24(32)34/h4-11,16H,3,12-15H2,1-2H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00800n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

More data for this
Ligand-Target Pair