BindingDB logo
myBDB logout

null

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)Nc1ccccc1Cl

InChI Key: InChIKey=RKCNLHDTMAERQH-XMMPIXPASA-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 = 267538   
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))		BDBM267538
PNG
((R)-4-(8-amino-3-(1-(pyrrolidine-1-carbonyl)piperi...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)Nc1ccccc1Cl |r|
Show InChI InChI=1S/C33H31ClN8O2/c34-25-5-1-2-6-26(25)38-33(44)41-16-3-4-24(19-41)31-40-28(29-30(35)37-15-17-42(29)31)21-9-11-22(12-10-21)32(43)39-27-18-23(13-14-36-27)20-7-8-20/h1-2,5-6,9-15,17-18,20,24H,3-4,7-8,16,19H2,(H2,35,37)(H,38,44)(H,36,39,43)/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/an/an/a<10n/an/a7.225



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...

US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair