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BDBM394250 US9975882, Example 41

SMILES: NC(=O)c1c(N)n(nc1-c1cnn(Cc2ccccc2)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC1CC1

InChI Key: InChIKey=LEUWSZBANZQPKY-GBWRQWNLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 394250   
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))		BDBM394250
PNG
(US9975882, Example 41)
Show SMILES NC(=O)c1c(N)n(nc1-c1cnn(Cc2ccccc2)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC1CC1 |r,wU:21.23,wD:23.26,(-5.89,7.15,;-4.35,7.15,;-3.58,8.48,;-3.58,5.81,;-4.06,4.35,;-5.39,3.58,;-2.81,3.44,;-1.57,4.35,;-2.04,5.81,;-1.27,7.15,;-1.75,8.61,;-.5,9.52,;.74,8.61,;2.23,9.01,;3.32,7.92,;2.92,6.43,;4.01,5.35,;5.5,5.74,;5.89,7.23,;4.81,8.32,;.27,7.15,;-2.81,1.9,;-1.73,.82,;-2.81,-.27,;-3.9,.82,;-4.06,-1.18,;-3.58,-2.64,;-2.04,-2.64,;-1.57,-1.18,;-1.27,-3.98,;.27,-3.98,;-2.04,-5.31,;-2.81,-6.64,;-3.58,-7.98,;-4.92,-8.75,;-3.58,-9.52,)|
Show InChI InChI=1S/C27H29N7O2/c28-25-23(26(29)36)24(20-14-30-33(16-20)15-19-4-2-1-3-5-19)31-34(25)21-12-27(13-21)10-11-32(17-27)22(35)9-8-18-6-7-18/h1-5,14,16,18,21H,6-7,10-13,15,17,28H2,(H2,29,36)/t21-,27-
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



University of Kalmar



Assay Description
Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...

J Med Chem 52: 2708-15 (2009)


BindingDB Entry DOI: 10.7270/Q2BP0531
More data for this
Ligand-Target Pair