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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 1' and Ligand = 'BDBM287551'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM287551
PNG
(1-(3-(4-acryloylpiperazin-1-yl)propyl)-3-(2,6-dich...)
Show SMILES CCNc1cc2n(CCCN3CCN(CC3)C(=O)C=C)c(=O)c(cc2cn1)-c1c(Cl)c(OC)cc(OC)c1Cl |(-8,-1.93,;-6.67,-1.16,;-6.67,.38,;-5.33,1.15,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.16,;,-1.93,;,-3.47,;1.33,-4.24,;1.33,-5.78,;2.67,-6.55,;4,-5.78,;4,-4.24,;2.67,-3.46,;5.33,-6.55,;5.33,-8.09,;6.67,-5.78,;8,-6.55,;,1.15,;1.33,.38,;,2.69,;-1.33,3.46,;-2.67,2.69,;-4,3.46,;-5.33,2.69,;1.33,3.46,;1.33,5,;,5.77,;2.67,5.78,;2.67,7.32,;4,8.09,;4,5,;4,3.46,;5.33,2.69,;6.67,3.46,;2.67,2.69,;2.67,1.15,)|
Show InChI InChI=1S/C28H33Cl2N5O4/c1-5-24(36)34-12-10-33(11-13-34)8-7-9-35-20-15-23(31-6-2)32-17-18(20)14-19(28(35)37)25-26(29)21(38-3)16-22(39-4)27(25)30/h5,14-17H,1,6-13H2,2-4H3,(H,31,32)
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


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))
BDBM287551
PNG
(1-(3-(4-acryloylpiperazin-1-yl)propyl)-3-(2,6-dich...)
Show SMILES CCNc1cc2n(CCCN3CCN(CC3)C(=O)C=C)c(=O)c(cc2cn1)-c1c(Cl)c(OC)cc(OC)c1Cl |(-8,-1.93,;-6.67,-1.16,;-6.67,.38,;-5.33,1.15,;-4,.38,;-2.67,1.15,;-1.33,.38,;-1.33,-1.16,;,-1.93,;,-3.47,;1.33,-4.24,;1.33,-5.78,;2.67,-6.55,;4,-5.78,;4,-4.24,;2.67,-3.46,;5.33,-6.55,;5.33,-8.09,;6.67,-5.78,;8,-6.55,;,1.15,;1.33,.38,;,2.69,;-1.33,3.46,;-2.67,2.69,;-4,3.46,;-5.33,2.69,;1.33,3.46,;1.33,5,;,5.77,;2.67,5.78,;2.67,7.32,;4,8.09,;4,5,;4,3.46,;5.33,2.69,;6.67,3.46,;2.67,2.69,;2.67,1.15,)|
Show InChI InChI=1S/C28H33Cl2N5O4/c1-5-24(36)34-12-10-33(11-13-34)8-7-9-35-20-15-23(31-6-2)32-17-18(20)14-19(28(35)37)25-26(29)21(38-3)16-22(39-4)27(25)30/h5,14-17H,1,6-13H2,2-4H3,(H,31,32)
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