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BDBM255290 US9481682, 39

InChI string: InChI=1/C27H23F4N7O3/c28-19-9-14(26(40)35-20-10-16(5-6-33-20)27(29,30)31)2-4-18(19)22-23-24(32)34-7-8-37(23)25(36-22)15-1-3-17-12-41-13-21(39)38(17)11-15/h2,4-10,15,17H,1,3,11-13H2,(H2,32,34)(H,33,35,40)/t15-,17+/s2

SMILES: Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2COCC(=O)N2C1

InChI Key: InChIKey=IKMPSGMVJMNBLT-XELGSYHNNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255290   
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))
BDBM255290
PNG
(US9481682, 39)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2COCC(=O)N2C1
Show InChI InChI=1/C27H23F4N7O3/c28-19-9-14(26(40)35-20-10-16(5-6-33-20)27(29,30)31)2-4-18(19)22-23-24(32)34-7-8-37(23)25(36-22)15-1-3-17-12-41-13-21(39)38(17)11-15/h2,4-10,15,17H,1,3,11-13H2,(H2,32,34)(H,33,35,40)/t15-,17+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.120n/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