BindingDB logo
myBDB logout

BDBM350333 (S)-3-(8-((1-acryloylpyrrolidin-3-yl)amino)-1,7-naphthyridin-6-yl)-1H-1,2,4-triazol-5(4H)-one::US10307414, Example 17::US9801872, Example 17

SMILES: C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1

InChI Key: InChIKey=LFCOPQATYOFYJF-NSHDSACASA-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 = 350333   
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))
BDBM350333
PNG
((S)-3-(8-((1-acryloylpyrrolidin-3-yl)amino)-1,7-na...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1 |r|
Show InChI InChI=1S/C17H15N7O2/c1-2-13(25)24-7-5-11(9-24)19-16-14-10(4-3-6-18-14)8-12(20-16)15-21-17(26)23-22-15/h2-4,6,8,11H,1,5,7,9H2,(H,19,20)/t11-/m0/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<2.51n/an/an/an/an/an/a



CNRS



Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


Bioorg Med Chem Lett 19: 1600-3 (2009)


BindingDB Entry DOI: 10.7270/Q2TQ63WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350333
PNG
((S)-3-(8-((1-acryloylpyrrolidin-3-yl)amino)-1,7-na...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1 |r|
Show InChI InChI=1S/C17H15N7O2/c1-2-13(25)24-7-5-11(9-24)19-16-14-10(4-3-6-18-14)8-12(20-16)15-21-17(26)23-22-15/h2-4,6,8,11H,1,5,7,9H2,(H,19,20)/t11-/m0/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<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair