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BDBM249233 US9458135, 21

SMILES: CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(Cl)n2)c1

InChI Key: InChIKey=LLACDVWVHFYQHP-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 249233   
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))
BDBM249233
PNG
(US9458135, 21)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(Cl)n2)c1
Show InChI InChI=1S/C21H17ClFN3O2/c1-26-18-9-17(23)16(8-14(18)5-6-21(26)27)15-7-13(10-24-11-15)12-28-20-4-2-3-19(22)25-20/h2-4,7-11H,5-6,12H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 16.3n/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))
BDBM249233
PNG
(US9458135, 21)
Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(Cl)n2)c1
Show InChI InChI=1S/C21H17ClFN3O2/c1-26-18-9-17(23)16(8-14(18)5-6-21(26)27)15-7-13(10-24-11-15)12-28-20-4-2-3-19(22)25-20/h2-4,7-11H,5-6,12H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.300n/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