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BDBM279782 US10035804, Example 53

SMILES: Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1CCc2cc(Cl)ccc2C1=O

InChI Key: InChIKey=YGSIIMNHALPQIV-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 279782   
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))
BDBM279782
PNG
(US10035804, Example 53)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C24H23ClN6O2/c1-28-11-17(8-27-28)22(32)30-14-24(15-30)12-29(13-24)19-7-20(10-26-9-19)31-5-4-16-6-18(25)2-3-21(16)23(31)33/h2-3,6-11H,4-5,12-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 14.6n/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
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM279782
PNG
(US10035804, Example 53)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1CCc2cc(Cl)ccc2C1=O
Show InChI InChI=1S/C24H23ClN6O2/c1-28-11-17(8-27-28)22(32)30-14-24(15-30)12-29(13-24)19-7-20(10-26-9-19)31-5-4-16-6-18(25)2-3-21(16)23(31)33/h2-3,6-11H,4-5,12-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 0.0460n/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