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BDBM336866 US9745289, Compound 21A::US9745289, Compound 21B

SMILES: Cc1c(F)cncc1C1COc2c(O1)cccc2C(N)=O

InChI Key: InChIKey=ILZIIUPZMDHEEE-UHFFFAOYSA-N

Data: 4 IC50

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 = 336866   
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 (CYP11B2)


(Homo sapiens (Human))
BDBM336866
PNG
(US9745289, Compound 21A | US9745289, Compound 21B)
Show SMILES Cc1c(F)cncc1C1COc2c(O1)cccc2C(N)=O
Show InChI InChI=1S/C15H13FN2O3/c1-8-10(5-18-6-11(8)16)13-7-20-14-9(15(17)19)3-2-4-12(14)21-13/h2-6,13H,7H2,1H3,(H2,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM336866
PNG
(US9745289, Compound 21A | US9745289, Compound 21B)
Show SMILES Cc1c(F)cncc1C1COc2c(O1)cccc2C(N)=O
Show InChI InChI=1S/C15H13FN2O3/c1-8-10(5-18-6-11(8)16)13-7-20-14-9(15(17)19)3-2-4-12(14)21-13/h2-6,13H,7H2,1H3,(H2,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336866
PNG
(US9745289, Compound 21A | US9745289, Compound 21B)
Show SMILES Cc1c(F)cncc1C1COc2c(O1)cccc2C(N)=O
Show InChI InChI=1S/C15H13FN2O3/c1-8-10(5-18-6-11(8)16)13-7-20-14-9(15(17)19)3-2-4-12(14)21-13/h2-6,13H,7H2,1H3,(H2,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM336866
PNG
(US9745289, Compound 21A | US9745289, Compound 21B)
Show SMILES Cc1c(F)cncc1C1COc2c(O1)cccc2C(N)=O
Show InChI InChI=1S/C15H13FN2O3/c1-8-10(5-18-6-11(8)16)13-7-20-14-9(15(17)19)3-2-4-12(14)21-13/h2-6,13H,7H2,1H3,(H2,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)

More data for this
Ligand-Target Pair