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SMILES: NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\C(F)F

InChI Key: InChIKey=RBODKSYPSRHVMB-XAVKZTDYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 470497   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM470497
PNG
(5-amino-3-{4-[(5-chloropyridin-2-yl)oxy]phenyl}-1-...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\C(F)F |r|
Show InChI InChI=1S/C24H23ClF2N6O3/c25-15-5-9-19(30-12-15)36-17-6-3-14(4-7-17)22-21(24(29)35)23(28)33(31-22)16-2-1-11-32(13-16)20(34)10-8-18(26)27/h3-10,12,16,18H,1-2,11,13,28H2,(H2,29,35)/b10-8+/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 311n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
EGFR: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 20 μM ATP, 100 nM peptide subs...


US Patent US10815213 (2020)


BindingDB Entry DOI: 10.7270/Q2W95D87
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM470497
PNG
(5-amino-3-{4-[(5-chloropyridin-2-yl)oxy]phenyl}-1-...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\C(F)F |r|
Show InChI InChI=1S/C24H23ClF2N6O3/c25-15-5-9-19(30-12-15)36-17-6-3-14(4-7-17)22-21(24(29)35)23(28)33(31-22)16-2-1-11-32(13-16)20(34)10-8-18(26)27/h3-10,12,16,18H,1-2,11,13,28H2,(H2,29,35)/b10-8+/t16-/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 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)


BindingDB Entry DOI: 10.7270/Q2W95D87
More data for this
Ligand-Target Pair