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BDBM50245632 CHEMBL4077618

SMILES: Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)CCl)c2)c(=O)n(C)c1

InChI Key: InChIKey=QNHYMRZMXZIGAP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50245632   
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))
BDBM50245632
PNG
(CHEMBL4077618)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)CCl)c2)c(=O)n(C)c1
Show InChI InChI=1S/C37H40ClN5O5/c1-23-28(7-6-8-30(23)41-34(45)24-9-11-26(12-10-24)37(2,3)4)25-19-32(36(47)42(5)22-25)39-27-13-14-29(31(20-27)40-33(44)21-38)35(46)43-15-17-48-18-16-43/h6-14,19-20,22,39H,15-18,21H2,1-5H3,(H,40,44)(H,41,45)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



University of Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...


Eur J Med Chem 131: 107-125 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.001
BindingDB Entry DOI: 10.7270/Q21V5HCK
More data for this
Ligand-Target Pair