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BDBM289782 US10093673, Compound 9.1::US10093673, Compound 9.2

SMILES: COCCCOc1cc2C3CCCC(C)(C)C3n3cc(C(O)=O)c(=O)cc3-c2cc1OC

InChI Key: InChIKey=ORJAYMLGQSFNMO-UHFFFAOYSA-N

Data: 2 EC50

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 = 289782   
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
Large envelope protein


(Hepatitis B virus)
BDBM289782
PNG
(US10093673, Compound 9.1 | US10093673, Compound 9....)
Show SMILES COCCCOc1cc2C3CCCC(C)(C)C3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C25H31NO6/c1-25(2)8-5-7-15-16-11-22(32-10-6-9-30-3)21(31-4)12-17(16)19-13-20(27)18(24(28)29)14-26(19)23(15)25/h11-15,23H,5-10H2,1-4H3,(H,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 303n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...


US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM289782
PNG
(US10093673, Compound 9.1 | US10093673, Compound 9....)
Show SMILES COCCCOc1cc2C3CCCC(C)(C)C3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C25H31NO6/c1-25(2)8-5-7-15-16-11-22(32-10-6-9-30-3)21(31-4)12-17(16)19-13-20(27)18(24(28)29)14-26(19)23(15)25/h11-15,23H,5-10H2,1-4H3,(H,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...


US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair