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BDBM124871 US8759365, 9-4::US8759365, 9-5

SMILES: CCC(C)OC(=O)N1C[C@H](C[C@H]1CC)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1

InChI Key: InChIKey=SMKZRYUCORUOAE-ZCWDRPESSA-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 = 124871   
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
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124871
PNG
(US8759365, 9-4 | US8759365, 9-5)
Show SMILES CCC(C)OC(=O)N1C[C@H](C[C@H]1CC)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C28H32F6N6O2/c1-5-17(3)42-26(41)40-16-24(10-23(40)6-2)39(25-35-11-19(12-36-25)20-13-37-38(4)15-20)14-18-7-21(27(29,30)31)9-22(8-18)28(32,33)34/h7-9,11-13,15,17,23-24H,5-6,10,14,16H2,1-4H3/t17?,23-,24+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 54n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM124871
PNG
(US8759365, 9-4 | US8759365, 9-5)
Show SMILES CCC(C)OC(=O)N1C[C@H](C[C@H]1CC)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C28H32F6N6O2/c1-5-17(3)42-26(41)40-16-24(10-23(40)6-2)39(25-35-11-19(12-36-25)20-13-37-38(4)15-20)14-18-7-21(27(29,30)31)9-22(8-18)28(32,33)34/h7-9,11-13,15,17,23-24H,5-6,10,14,16H2,1-4H3/t17?,23-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 21n/an/an/an/a7.437



Novartis AG

US Patent


Assay Description
CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...


US Patent US8759365 (2014)


BindingDB Entry DOI: 10.7270/Q2NG4P95
More data for this
Ligand-Target Pair