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BDBM249240 US9458135, 28

SMILES: CN1C(=O)CCc2cc(ccc12)-c1cncc(CC(=O)Nc2cccc(C)n2)c1

InChI Key: InChIKey=PXMOYJKOJGVEAG-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 249240   
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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM249240
PNG
(US9458135, 28)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CC(=O)Nc2cccc(C)n2)c1
Show InChI InChI=1S/C23H22N4O2/c1-15-4-3-5-21(25-15)26-22(28)11-16-10-19(14-24-13-16)17-6-8-20-18(12-17)7-9-23(29)27(20)2/h3-6,8,10,12-14H,7,9,11H2,1-2H3,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14.5n/an/an/an/a



Hoffmann-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 US9458135 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM249240
PNG
(US9458135, 28)
Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(CC(=O)Nc2cccc(C)n2)c1
Show InChI InChI=1S/C23H22N4O2/c1-15-4-3-5-21(25-15)26-22(28)11-16-10-19(14-24-13-16)17-6-8-20-18(12-17)7-9-23(29)27(20)2/h3-6,8,10,12-14H,7,9,11H2,1-2H3,(H,25,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.20n/an/an/an/a



Hoffmann-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 US9458135 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5F04
More data for this
Ligand-Target Pair