BindingDB logo
myBDB logout

null

SMILES: Cc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12

InChI Key: InChIKey=ZDSNPAJJEZTXOK-MJGOQNOKSA-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 = 255273   
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))		BDBM255273
PNG
(US9481682, 22)
Show SMILES Cc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Show InChI InChI=1S/C28H26F3N7O2/c1-15-12-16(3-6-20(15)27(40)35-21-13-18(8-9-33-21)28(29,30)31)23-24-25(32)34-10-11-37(24)26(36-23)17-2-4-19-5-7-22(39)38(19)14-17/h3,6,8-13,17,19H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t17-,19+/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 0.410n/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