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BDBM279771 US10035804, Example 42

SMILES: CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cocn2)C1

InChI Key: InChIKey=ZYBZNCFAZFMTFY-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 = 279771   
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))
BDBM279771
PNG
(US10035804, Example 42)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cocn2)C1
Show InChI InChI=1S/C24H22ClN5O3/c1-23(2)19-5-15(25)3-4-18(19)21(31)30(23)17-6-16(7-26-8-17)28-10-24(11-28)12-29(13-24)22(32)20-9-33-14-27-20/h3-9,14H,10-13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.05n/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 (CYP11B2)


(Homo sapiens (Human))
BDBM279771
PNG
(US10035804, Example 42)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2cocn2)C1
Show InChI InChI=1S/C24H22ClN5O3/c1-23(2)19-5-15(25)3-4-18(19)21(31)30(23)17-6-16(7-26-8-17)28-10-24(11-28)12-29(13-24)22(32)20-9-33-14-27-20/h3-9,14H,10-13H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0100n/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