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SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC(C)C)nc2n(CCN(C)C2CCN(CC2)C(=O)C=C)c1=O

InChI Key: InChIKey=XCVNJBNNYAALER-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 287080   
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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287080
PNG
(8-(2-((1-acryloylpiperidin-4-yl)(methyl)amino)ethy...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC(C)C)nc2n(CCN(C)C2CCN(CC2)C(=O)C=C)c1=O |(4,8.09,;2.67,7.32,;2.67,5.78,;4,5,;4,3.46,;5.33,2.69,;6.67,3.46,;2.67,2.69,;2.67,1.15,;1.33,3.46,;1.33,5,;,5.77,;,2.69,;-1.33,3.46,;-2.67,2.69,;-4,3.46,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-6.67,-1.16,;-8,-1.93,;-5.33,-1.93,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.16,;,-1.93,;,-3.47,;-1.33,-4.24,;1.33,-4.24,;1.33,-5.78,;2.67,-6.55,;4,-5.78,;4,-4.24,;2.67,-3.47,;5.33,-6.55,;5.33,-8.09,;6.67,-5.78,;8,-6.55,;,1.15,;1.33,.38,)|
Show InChI InChI=1S/C29H36Cl2N6O4/c1-7-23(38)36-10-8-19(9-11-36)35(4)12-13-37-27-18(16-32-29(34-27)33-17(2)3)14-20(28(37)39)24-25(30)21(40-5)15-22(41-6)26(24)31/h7,14-17,19H,1,8-13H2,2-6H3,(H,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287080
PNG
(8-(2-((1-acryloylpiperidin-4-yl)(methyl)amino)ethy...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NC(C)C)nc2n(CCN(C)C2CCN(CC2)C(=O)C=C)c1=O |(4,8.09,;2.67,7.32,;2.67,5.78,;4,5,;4,3.46,;5.33,2.69,;6.67,3.46,;2.67,2.69,;2.67,1.15,;1.33,3.46,;1.33,5,;,5.77,;,2.69,;-1.33,3.46,;-2.67,2.69,;-4,3.46,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-6.67,-1.16,;-8,-1.93,;-5.33,-1.93,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.16,;,-1.93,;,-3.47,;-1.33,-4.24,;1.33,-4.24,;1.33,-5.78,;2.67,-6.55,;4,-5.78,;4,-4.24,;2.67,-3.47,;5.33,-6.55,;5.33,-8.09,;6.67,-5.78,;8,-6.55,;,1.15,;1.33,.38,)|
Show InChI InChI=1S/C29H36Cl2N6O4/c1-7-23(38)36-10-8-19(9-11-36)35(4)12-13-37-27-18(16-32-29(34-27)33-17(2)3)14-20(28(37)39)24-25(30)21(40-5)15-22(41-6)26(24)31/h7,14-17,19H,1,8-13H2,2-6H3,(H,32,33,34)
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/a25



Principia Biopharma, Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kin...


US Patent US9567334 (2017)


BindingDB Entry DOI: 10.7270/Q2XK8HKQ
More data for this
Ligand-Target Pair