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SMILES: CC(=O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1

InChI Key: InChIKey=DZFONXTWNMTATH-UHFFFAOYSA-N

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 4 hits for monomerid = 287659   
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 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287659
PNG
(US10085984, Example 37 | US11040034, Ex. No. 37)
Show SMILES CC(=O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C20H20F2N6O/c1-12(29)26-4-6-27(7-5-26)19-8-13(11-23-25-19)20-24-17-9-15(21)16(22)10-18(17)28(20)14-2-3-14/h8-11,14H,2-7H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)


BindingDB Entry DOI: 10.7270/Q2542QM2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM287659
PNG
(US10085984, Example 37 | US11040034, Ex. No. 37)
Show SMILES CC(=O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C20H20F2N6O/c1-12(29)26-4-6-27(7-5-26)19-8-13(11-23-25-19)20-24-17-9-15(21)16(22)10-18(17)28(20)14-2-3-14/h8-11,14H,2-7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM287659
PNG
(US10085984, Example 37 | US11040034, Ex. No. 37)
Show SMILES CC(=O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C20H20F2N6O/c1-12(29)26-4-6-27(7-5-26)19-8-13(11-23-25-19)20-24-17-9-15(21)16(22)10-18(17)28(20)14-2-3-14/h8-11,14H,2-7H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Pr...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BV7KRW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM287659
PNG
(US10085984, Example 37 | US11040034, Ex. No. 37)
Show SMILES CC(=O)N1CCN(CC1)c1cc(cnn1)-c1nc2cc(F)c(F)cc2n1C1CC1
Show InChI InChI=1S/C20H20F2N6O/c1-12(29)26-4-6-27(7-5-26)19-8-13(11-23-25-19)20-24-17-9-15(21)16(22)10-18(17)28(20)14-2-3-14/h8-11,14H,2-7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 750n/an/an/an/an/an/a



Viamet Pharmaceuticals (Bermuda), Ltd.

US Patent


Assay Description
V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according t...


US Patent US10085984 (2018)


BindingDB Entry DOI: 10.7270/Q2542QM2
More data for this
Ligand-Target Pair