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BDBM255339 US9481682, 89

InChI string: InChI=1/C28H26F3N7O4/c1-14-19-6-4-16(13-38(19)27(40)42-14)25-36-22(23-24(32)34-9-10-37(23)25)18-5-3-15(11-20(18)41-2)26(39)35-21-12-17(7-8-33-21)28(29,30)31/h3,5,7-12,14,16,19H,4,6,13H2,1-2H3,(H2,32,34)(H,33,35,39)/t14-,16-,19+/s2

SMILES: COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=QLWMIZWEEXQUFO-UPUSYQGYNA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255339   
Target
(Institution)
LigandTarget
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))
BDBM255339
PNG
(US9481682, 89)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C28H26F3N7O4/c1-14-19-6-4-16(13-38(19)27(40)42-14)25-36-22(23-24(32)34-9-10-37(23)25)18-5-3-15(11-20(18)41-2)26(39)35-21-12-17(7-8-33-21)28(29,30)31/h3,5,7-12,14,16,19H,4,6,13H2,1-2H3,(H2,32,34)(H,33,35,39)/t14-,16-,19+/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.130n/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)

More data for this
Ligand-Target Pair