BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O

InChI Key: InChIKey=JFRQKUNDOQKPPZ-WVLWKRQNSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174463   
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))		BDBM174463
PNG
(US9688676, 12 (S)-2-(2-((4-amino-2-oxo-3-(4-phenox...)
Show SMILES CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
Show InChI InChI=1S/C31H32N6O3/c1-31(2,3)18-21(19-32)29(38)35-17-7-8-23(35)20-36-26-15-16-34-28(33)27(26)37(30(36)39)22-11-13-25(14-12-22)40-24-9-5-4-6-10-24/h4-6,9-16,18,23H,7-8,17,20H2,1-3H3,(H2,33,34)/b21-18+/t23-/m0/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 6.60n/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