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BDBM255328 US9481682, 77

SMILES: C[C@H]1OC[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=BSIVVYJZCIHNHN-ZTNFWEORSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255328   
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))
BDBM255328
PNG
(US9481682, 77)
Show SMILES C[C@H]1OC[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C28H26F3N7O3/c1-15-27(40)38-13-18(6-7-20(38)14-41-15)25-36-22(23-24(32)34-10-11-37(23)25)16-2-4-17(5-3-16)26(39)35-21-12-19(8-9-33-21)28(29,30)31/h2-5,8-12,15,18,20H,6-7,13-14H2,1H3,(H2,32,34)(H,33,35,39)/t15-,18-,20+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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...


Citation and Details
More data for this
Ligand-Target Pair