BindingDB logo
myBDB logout

null

SMILES: COCCOCCNc1cc2n(CCCN3CCN(CC3)C(=O)C=C)c(=O)c(cc2cn1)-c1c(Cl)c(OC)cc(OC)c1Cl

InChI Key: InChIKey=SIQXATCVQAADGZ-UHFFFAOYSA-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 = 287560   
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))
BDBM287560
PNG
(1-(3-(4-acryloylpiperazin-1-yl)propyl)-3-(2,6-dich...)
Show SMILES COCCOCCNc1cc2n(CCCN3CCN(CC3)C(=O)C=C)c(=O)c(cc2cn1)-c1c(Cl)c(OC)cc(OC)c1Cl |(-9.34,-8.09,;-9.34,-6.55,;-8,-5.78,;-8,-4.24,;-6.67,-3.47,;-6.67,-1.93,;-5.33,-1.16,;-5.33,.38,;-4,1.15,;-2.67,.38,;-1.33,1.15,;,.38,;,-1.16,;1.33,-1.93,;1.33,-3.47,;2.67,-4.24,;2.67,-5.78,;4,-6.55,;5.33,-5.78,;5.33,-4.24,;4,-3.46,;6.67,-6.55,;6.67,-8.09,;8,-5.78,;9.34,-6.55,;1.33,1.15,;2.67,.38,;1.33,2.69,;,3.46,;-1.33,2.69,;-2.67,3.46,;-4,2.69,;2.67,3.46,;2.67,5,;1.33,5.77,;4,5.78,;4,7.32,;5.33,8.09,;5.33,5,;5.33,3.46,;6.67,2.69,;8,3.46,;4,2.69,;4,1.15,)|
Show InChI InChI=1S/C31H39Cl2N5O6/c1-5-27(39)37-12-10-36(11-13-37)8-6-9-38-23-18-26(34-7-14-44-16-15-41-2)35-20-21(23)17-22(31(38)40)28-29(32)24(42-3)19-25(43-4)30(28)33/h5,17-20H,1,6-16H2,2-4H3,(H,34,35)
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 1n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DB850W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287560
PNG
(1-(3-(4-acryloylpiperazin-1-yl)propyl)-3-(2,6-dich...)
Show SMILES COCCOCCNc1cc2n(CCCN3CCN(CC3)C(=O)C=C)c(=O)c(cc2cn1)-c1c(Cl)c(OC)cc(OC)c1Cl |(-9.34,-8.09,;-9.34,-6.55,;-8,-5.78,;-8,-4.24,;-6.67,-3.47,;-6.67,-1.93,;-5.33,-1.16,;-5.33,.38,;-4,1.15,;-2.67,.38,;-1.33,1.15,;,.38,;,-1.16,;1.33,-1.93,;1.33,-3.47,;2.67,-4.24,;2.67,-5.78,;4,-6.55,;5.33,-5.78,;5.33,-4.24,;4,-3.46,;6.67,-6.55,;6.67,-8.09,;8,-5.78,;9.34,-6.55,;1.33,1.15,;2.67,.38,;1.33,2.69,;,3.46,;-1.33,2.69,;-2.67,3.46,;-4,2.69,;2.67,3.46,;2.67,5,;1.33,5.77,;4,5.78,;4,7.32,;5.33,8.09,;5.33,5,;5.33,3.46,;6.67,2.69,;8,3.46,;4,2.69,;4,1.15,)|
Show InChI InChI=1S/C31H39Cl2N5O6/c1-5-27(39)37-12-10-36(11-13-37)8-6-9-38-23-18-26(34-7-14-44-16-15-41-2)35-20-21(23)17-22(31(38)40)28-29(32)24(42-3)19-25(43-4)30(28)33/h5,17-20H,1,6-16H2,2-4H3,(H,34,35)
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 1n/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