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BDBM287162 US9567339, Example A.1.13

SMILES: COc1cc(ccn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C

InChI Key: InChIKey=IOGLQKKXGAKEGJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 287162   
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 [393-659]


(Homo sapiens (Human))		BDBM287162
PNG
(US9567339, Example A.1.13)
Show SMILES COc1cc(ccn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C
Show InChI InChI=1S/C25H22N4O3/c1-4-22(30)28-20-7-5-6-16(14(20)2)17-8-9-18(25(26)31)24-19(17)13-21(29-24)15-10-11-27-23(12-15)32-3/h4-13,29H,1H2,2-3H3,(H2,26,31)(H,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/a6.525



AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair