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SMILES: NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2Cl)cc1)C1CCCN(C1)C#N

InChI Key: InChIKey=PORXWZYFBBBCMJ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 377762   
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))
BDBM377762
PNG
(5-amino-3-[4-(2-chlorophenoxy)- phenyl]-1-(1-cyano...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2Cl)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H21ClN6O2/c23-17-5-1-2-6-18(17)31-16-9-7-14(8-10-16)20-19(22(26)30)21(25)29(27-20)15-4-3-11-28(12-15)13-24/h1-2,5-10,15H,3-4,11-12,25H2,(H2,26,30)
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 1.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide p...


US Patent US10815213 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377762
PNG
(5-amino-3-[4-(2-chlorophenoxy)- phenyl]-1-(1-cyano...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2Cl)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H21ClN6O2/c23-17-5-1-2-6-18(17)31-16-9-7-14(8-10-16)20-19(22(26)30)21(25)29(27-20)15-4-3-11-28(12-15)13-24/h1-2,5-10,15H,3-4,11-12,25H2,(H2,26,30)
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 1.30n/an/an/an/an/an/a



Institut Claudius Regaud



Assay Description
TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...


J Med Chem 48: 287-91 (2005)


BindingDB Entry DOI: 10.7270/Q2P271FD
More data for this
Ligand-Target Pair