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SMILES: CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12

InChI Key: InChIKey=PSWOHIHZANHOPP-GOSISDBHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 326173   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM326173
PNG
(3-[(3R)-1-acetylpiperidin- 3-yl]-1-(4- phenoxyphen...)
Show SMILES CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Show InChI InChI=1S/C25H25N5O2/c1-17(31)29-15-5-6-18(16-29)23-22-13-14-27-25(26)24(22)30(28-23)19-9-11-21(12-10-19)32-20-7-3-2-4-8-20/h2-4,7-14,18H,5-6,15-16H2,1H3,(H2,26,27)/t18-/m1/s1
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US Patent
n/an/a 2n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in as...

US Patent US9637486 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H4H
More data for this
Ligand-Target Pair