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BDBM279753 US10035804, Example 24

SMILES: COc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C

InChI Key: InChIKey=XXOVYLJPOXVUAL-UHFFFAOYSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 279753   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM279753
PNG
(US10035804, Example 24)
Show SMILES COc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H26ClN5O3/c1-26(2)22-8-17(28)4-5-20(22)25(35)33(26)19-9-18(10-30-11-19)31-13-27(14-31)15-32(16-27)24(34)21-12-29-7-6-23(21)36-3/h4-12H,13-16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17.2n/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)


BindingDB Entry DOI: 10.7270/Q2GT5Q6H
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279753
PNG
(US10035804, Example 24)
Show SMILES COc1ccncc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C27H26ClN5O3/c1-26(2)22-8-17(28)4-5-20(22)25(35)33(26)19-9-18(10-30-11-19)31-13-27(14-31)15-32(16-27)24(34)21-12-29-7-6-23(21)36-3/h4-12H,13-16H2,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0450n/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)


BindingDB Entry DOI: 10.7270/Q2GT5Q6H
More data for this
Ligand-Target Pair