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BDBM336523 1-(5-(4-ethyl-5- fluoropyridin-3-yl)- 6-fluoroindolin-1- yl)ethanone::US9745282, 49

SMILES: CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2cc1F

InChI Key: InChIKey=CUXIZWXSADOSKO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 336523   
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


(Homo sapiens (Human))
BDBM336523
PNG
(1-(5-(4-ethyl-5- fluoropyridin-3-yl)- 6-fluoroindo...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2cc1F
Show InChI InChI=1S/C17H16F2N2O/c1-3-12-14(8-20-9-16(12)19)13-6-11-4-5-21(10(2)22)17(11)7-15(13)18/h6-9H,3-5H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent




US Patent US9745282 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z66
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336523
PNG
(1-(5-(4-ethyl-5- fluoropyridin-3-yl)- 6-fluoroindo...)
Show SMILES CCc1c(F)cncc1-c1cc2CCN(C(C)=O)c2cc1F
Show InChI InChI=1S/C17H16F2N2O/c1-3-12-14(8-20-9-16(12)19)13-6-11-4-5-21(10(2)22)17(11)7-15(13)18/h6-9H,3-5H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 170n/an/an/an/an/an/a



Merck Sharp & Dohme Corp; ElexoPharm GmbH

US Patent


Assay Description
V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...


US Patent US9745282 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z66
More data for this
Ligand-Target Pair