BindingDB logo
myBDB logout

BDBM50388182 CHEMBL2057914

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1cn2ccnc2c(Nc2ccccc2)n1

InChI Key: InChIKey=IJMHHZDBRUGXNO-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50388182   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50388182
PNG
(CHEMBL2057914)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1cn2ccnc2c(Nc2ccccc2)n1
Show InChI InChI=1S/C29H27N5O/c1-29(2,3)22-14-12-20(13-15-22)28(35)32-24-11-7-8-21(18-24)25-19-34-17-16-30-27(34)26(33-25)31-23-9-5-4-6-10-23/h4-19H,1-3H3,(H,31,33)(H,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibition of human BTK by enzymatic assay


J Med Chem 55: 4539-50 (2012)


Article DOI: 10.1021/jm300035p
BindingDB Entry DOI: 10.7270/Q27H1KMF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)