BindingDB logo
myBDB logout

null

SMILES: COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCC(C)(C)O)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O

InChI Key: InChIKey=XVQAACIPBICWNT-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 5 hits for monomerid = 286978   
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))
BDBM286978
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-chloro...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCC(C)(C)O)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O
Show InChI InChI=1S/C29H37ClN6O5/c1-6-24(37)35-12-10-34(11-13-35)8-7-9-36-26-19(17-31-28(33-26)32-18-29(2,3)39)14-22(27(36)38)21-15-20(40-4)16-23(41-5)25(21)30/h6,14-17,39H,1,7-13,18H2,2-5H3,(H,31,32,33)
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 0.300n/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))
BDBM286978
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-chloro...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCC(C)(C)O)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O
Show InChI InChI=1S/C29H37ClN6O5/c1-6-24(37)35-12-10-34(11-13-35)8-7-9-36-26-19(17-31-28(33-26)32-18-29(2,3)39)14-22(27(36)38)21-15-20(40-4)16-23(41-5)25(21)30/h6,14-17,39H,1,7-13,18H2,2-5H3,(H,31,32,33)
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 0.300n/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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM286978
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-chloro...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCC(C)(C)O)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O
Show InChI InChI=1S/C29H37ClN6O5/c1-6-24(37)35-12-10-34(11-13-35)8-7-9-36-26-19(17-31-28(33-26)32-18-29(2,3)39)14-22(27(36)38)21-15-20(40-4)16-23(41-5)25(21)30/h6,14-17,39H,1,7-13,18H2,2-5H3,(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.300n/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))
BDBM286978
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-chloro...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCC(C)(C)O)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O
Show InChI InChI=1S/C29H37ClN6O5/c1-6-24(37)35-12-10-34(11-13-35)8-7-9-36-26-19(17-31-28(33-26)32-18-29(2,3)39)14-22(27(36)38)21-15-20(40-4)16-23(41-5)25(21)30/h6,14-17,39H,1,7-13,18H2,2-5H3,(H,31,32,33)
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 1.5n/an/an/an/an/an/a



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 US9815834 (2017)


BindingDB Entry DOI: 10.7270/Q2B85B83
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM286978
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2-chloro...)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(NCC(C)(C)O)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O
Show InChI InChI=1S/C29H37ClN6O5/c1-6-24(37)35-12-10-34(11-13-35)8-7-9-36-26-19(17-31-28(33-26)32-18-29(2,3)39)14-22(27(36)38)21-15-20(40-4)16-23(41-5)25(21)30/h6,14-17,39H,1,7-13,18H2,2-5H3,(H,31,32,33)
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 1.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The cell-based effects of FGFR inhibitors were determined by measuring inhibition of FGFR-dependent cell line growth. The cell lines SNU-16 was used ...


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


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