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SMILES: Cc1cc(ccc1C(=O)Nc1cc(ccn1)C1CC1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12

InChI Key: InChIKey=CLNDISIVDBMFSM-YADHBBJMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255279   
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))		BDBM255279
PNG
(US9481682, 28)
Show SMILES Cc1cc(ccc1C(=O)Nc1cc(ccn1)C1CC1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Show InChI InChI=1S/C30H31N7O2/c1-17-14-20(5-8-23(17)30(39)34-24-15-19(10-11-32-24)18-2-3-18)26-27-28(31)33-12-13-36(27)29(35-26)21-4-6-22-7-9-25(38)37(22)16-21/h5,8,10-15,18,21-22H,2-4,6-7,9,16H2,1H3,(H2,31,33)(H,32,34,39)/t21-,22+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.640n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...

US Patent US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair