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BDBM174762 US9688676, 50 (R)-5-(3-(4-amino-2-oxo-3-(4-phenoxyphenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl)-4-cyano-N,N,2,2-tetramethyl-5-oxopent-3-enamide

SMILES: CN(C)C(=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O

InChI Key: InChIKey=OEKUBEQHEKWGFY-XMMPIXPASA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174762   
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))
BDBM174762
PNG
(US9688676, 50 (R)-5-(3-(4-amino-2-oxo-3-(4-phenoxy...)
Show SMILES CN(C)C(=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:8.7|
Show InChI InChI=1S/C33H35N7O4/c1-33(2,31(42)37(3)4)19-22(20-34)30(41)38-18-8-9-24(21-38)39-27-16-17-36-29(35)28(27)40(32(39)43)23-12-14-26(15-13-23)44-25-10-6-5-7-11-25/h5-7,10-17,19,24H,8-9,18,21H2,1-4H3,(H2,35,36)/t24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.30n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of BTK kinase activity of a compound of the pre...


US Patent US9688676 (2017)


BindingDB Entry DOI: 10.7270/Q2XD0ZVX
More data for this
Ligand-Target Pair