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BDBM106221 US9695174, Ko134

SMILES: CC(C)C[C@@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C2=O

InChI Key: InChIKey=BCZFDPQIRPGIJS-CFCSJWJGNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 106221   
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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM106221
PNG
(US9695174, Ko134)
Show SMILES CC(C)C[C@@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C2=O |r|
Show InChI InChI=1/C25H33N3O4/c1-14(2)12-19-22-16(15-8-6-7-9-17(15)26-22)13-20-23(30)27-18(24(31)28(19)20)10-11-21(29)32-25(3,4)5/h6-9,14,18-20,26H,10-13H2,1-5H3,(H,27,30)/t18-,19-,20-/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.25E+3n/an/an/an/a7.437



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...


US Patent US9695174 (2017)


BindingDB Entry DOI: 10.7270/Q2DN436B
More data for this
Ligand-Target Pair