BindingDB logo
myBDB logout

BDBM250077 US9447106, 10a (peak 1)::US9556188, Compound 10b

SMILES: NC(=O)c1c2NCC[C@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=IADKTLRGSWIUHC-XMMPIXPASA-N

Data: 2 IC50

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 2 hits for monomerid = 250077   
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))
BDBM250077
PNG
(US9447106, 10a (peak 1) | US9556188, Compound 10b)
Show SMILES NC(=O)c1c2NCC[C@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C29H27N5O3/c1-2-25(35)32-23-11-7-6-10-22(23)24-16-17-31-29-26(28(30)36)27(33-34(24)29)20-12-14-21(15-13-20)37-18-19-8-4-3-5-9-19/h2-15,24,31H,1,16-18H2,(H2,30,36)(H,32,35)/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/a 42n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9556188 (2017)


BindingDB Entry DOI: 10.7270/Q26Q2082
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM250077
PNG
(US9447106, 10a (peak 1) | US9556188, Compound 10b)
Show SMILES NC(=O)c1c2NCC[C@H](c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C29H27N5O3/c1-2-25(35)32-23-11-7-6-10-22(23)24-16-17-31-29-26(28(30)36)27(33-34(24)29)20-12-14-21(15-13-20)37-18-19-8-4-3-5-9-19/h2-15,24,31H,1,16-18H2,(H2,30,36)(H,32,35)/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/a 0.510n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)


BindingDB Entry DOI: 10.7270/Q21Z439C
More data for this
Ligand-Target Pair