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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 1' and Ligand = 'BDBM286986'   
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))
BDBM286986
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-chloro...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(Nc3ccccc3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O
Show InChI InChI=1S/C31H33ClN6O4/c1-4-27(39)37-15-13-36(14-16-37)11-8-12-38-29-21(20-33-31(35-29)34-22-9-6-5-7-10-22)17-25(30(38)40)24-18-23(41-2)19-26(42-3)28(24)32/h4-7,9-10,17-20H,1,8,11-16H2,2-3H3,(H,33,34,35)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM286986
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-chloro...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(Nc3ccccc3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O
Show InChI InChI=1S/C31H33ClN6O4/c1-4-27(39)37-15-13-36(14-16-37)11-8-12-38-29-21(20-33-31(35-29)34-22-9-6-5-7-10-22)17-25(30(38)40)24-18-23(41-2)19-26(42-3)28(24)32/h4-7,9-10,17-20H,1,8,11-16H2,2-3H3,(H,33,34,35)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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))
BDBM286986
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-chloro...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(Nc3ccccc3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O
Show InChI InChI=1S/C31H33ClN6O4/c1-4-27(39)37-15-13-36(14-16-37)11-8-12-38-29-21(20-33-31(35-29)34-22-9-6-5-7-10-22)17-25(30(38)40)24-18-23(41-2)19-26(42-3)28(24)32/h4-7,9-10,17-20H,1,8,11-16H2,2-3H3,(H,33,34,35)
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 1.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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...


Bioorg Med Chem Lett 19: 773-7 (2009)


BindingDB Entry DOI: 10.7270/Q2GX4DVZ
More data for this
Ligand-Target Pair