BindingDB logo
myBDB logout

null

SMILES: Nc1nccn2c(nc(-c3ccc(cc3OC3CCCCC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1

InChI Key: InChIKey=IKDWBEXLTVDOCS-IRLDBZIGSA-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 = 255387   
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))		BDBM255387
PNG
(US9481682, 138)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3OC3CCCCC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C33H34F3N7O3/c34-33(35,36)21-12-13-38-26(17-21)40-32(45)19-7-10-24(25(16-19)46-23-4-2-1-3-5-23)28-29-30(37)39-14-15-42(29)31(41-28)20-6-8-22-9-11-27(44)43(22)18-20/h7,10,12-17,20,22-23H,1-6,8-9,11,18H2,(H2,37,39)(H,38,40,45)/t20-,22+/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 135n/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)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair