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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family G member 2' and Ligand = 'BDBM106207'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM106207
PNG
(US9695174, 12)
Show SMILES COc1cc2[nH]c3[C@H](CC(C)C)N4[C@@H](Cc3c2cc1C)C(=O)N[C@@H](C)C4=O |r|
Show InChI InChI=1/C21H27N3O3/c1-10(2)6-16-19-14(8-17-20(25)22-12(4)21(26)24(16)17)13-7-11(3)18(27-5)9-15(13)23-19/h7,9-10,12,16-17,23H,6,8H2,1-5H3,(H,22,25)/t12-,16-,17-/s2
PDB

NCI pathway
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KEGG

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.98E+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