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SMILES: COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)nn1

InChI Key: InChIKey=SXPUHRRIRIQRTP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350788   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50350788
PNG
(CHEMBL1818826)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)nn1
Show InChI InChI=1S/C28H35N5O/c1-19-15-32(18-29-19)25-10-9-21(13-26(25)34-8)24-17-33(31-30-24)16-20-11-22(27(2,3)4)14-23(12-20)28(5,6)7/h9-15,17-18H,16H2,1-8H3
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MMDB

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n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories Boston

Curated by ChEMBL


Assay Description
Binding affinity to human ERG by radioligand displacement assay

Bioorg Med Chem Lett 21: 4083-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J
More data for this
Ligand-Target Pair