BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=YMFKLMVUBGVUPG-OAHLLOKOSA-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 2 hits for monomerid = 470491   
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))
BDBM470491
PNG
(1-[(3R)-1-acryloylpiperidin-3-yl]-5-amino-3-{4-[(5...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C23H22ClFN6O3/c1-2-18(32)30-9-3-4-15(12-30)31-21(26)19(22(27)33)20(29-31)13-5-7-16(8-6-13)34-23-17(25)10-14(24)11-28-23/h2,5-8,10-11,15H,1,3-4,9,12,26H2,(H2,27,33)/t15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/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)

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


(Homo sapiens (Human))
BDBM470491
PNG
(1-[(3R)-1-acryloylpiperidin-3-yl]-5-amino-3-{4-[(5...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C23H22ClFN6O3/c1-2-18(32)30-9-3-4-15(12-30)31-21(26)19(22(27)33)20(29-31)13-5-7-16(8-6-13)34-23-17(25)10-14(24)11-28-23/h2,5-8,10-11,15H,1,3-4,9,12,26H2,(H2,27,33)/t15-/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 0.480n/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