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SMILES: FC(F)(F)COc1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N

InChI Key: InChIKey=RKMYVHHXVOUUMK-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 = 287740   
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))
BDBM287740
PNG
(US10085984, Example 118 | US11040034, Ex. No. 118)
Show SMILES FC(F)(F)COc1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)9-26-15-6-11(8-22-24-15)16-23-13-4-1-10(7-21)5-14(13)25(16)12-2-3-12/h1,4-6,8,12H,2-3,9H2
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))
BDBM287740
PNG
(US10085984, Example 118 | US11040034, Ex. No. 118)
Show SMILES FC(F)(F)COc1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)9-26-15-6-11(8-22-24-15)16-23-13-4-1-10(7-21)5-14(13)25(16)12-2-3-12/h1,4-6,8,12H,2-3,9H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 550n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM287740
PNG
(US10085984, Example 118 | US11040034, Ex. No. 118)
Show SMILES FC(F)(F)COc1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)9-26-15-6-11(8-22-24-15)16-23-13-4-1-10(7-21)5-14(13)25(16)12-2-3-12/h1,4-6,8,12H,2-3,9H2
PDB

UniProtKB/SwissProt

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


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM287740
PNG
(US10085984, Example 118 | US11040034, Ex. No. 118)
Show SMILES FC(F)(F)COc1cc(cnn1)-c1nc2ccc(cc2n1C1CC1)C#N
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)9-26-15-6-11(8-22-24-15)16-23-13-4-1-10(7-21)5-14(13)25(16)12-2-3-12/h1,4-6,8,12H,2-3,9H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/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