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SMILES: COc1ncnc2c1oc1nc(CC(C)C)c3CCCCc3c21

InChI Key: InChIKey=GXPYGECJGBUBOD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 44620   
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
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM44620
PNG
(MLS000084525 | SMR000047926 | cid_666655)
Show SMILES COc1ncnc2c1oc1nc(CC(C)C)c3CCCCc3c21
Show InChI InChI=1S/C18H21N3O2/c1-10(2)8-13-11-6-4-5-7-12(11)14-15-16(23-17(14)21-13)18(22-3)20-9-19-15/h9-10H,4-8H2,1-3H3
PDB

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Similars
PCBioAssay
n/an/an/an/a 3.57E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair