BindingDB logo
myBDB logout

null

SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O

InChI Key: InChIKey=OIAKQMVWXQYUFN-IYARVYRRSA-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 = 287158   
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))
BDBM287158
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |r,wU:19.19,wD:22.23,(4.39,7.86,;3.06,7.09,;3.06,5.55,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;1.72,3.24,;1.72,4.78,;.39,5.55,;.39,2.47,;-.94,3.24,;-2.28,2.47,;-3.61,3.24,;-4.94,2.47,;-4.94,.93,;-6.28,.16,;-6.28,-1.38,;-4.94,-2.15,;-4.94,-3.69,;-6.28,-4.46,;-6.28,-6,;-7.61,-3.69,;-7.61,-2.15,;-3.61,.16,;-2.28,.93,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;.39,.93,;1.72,.16,)|
Show InChI InChI=1S/C29H33Cl2N5O6/c1-4-23(38)35-14-19(15-35)42-10-9-36-27-16(13-32-29(34-27)33-17-5-7-18(37)8-6-17)11-20(28(36)39)24-25(30)21(40-2)12-22(41-3)26(24)31/h4,11-13,17-19,37H,1,5-10,14-15H2,2-3H3,(H,32,33,34)/t17-,18-
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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287158
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |r,wU:19.19,wD:22.23,(4.39,7.86,;3.06,7.09,;3.06,5.55,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;1.72,3.24,;1.72,4.78,;.39,5.55,;.39,2.47,;-.94,3.24,;-2.28,2.47,;-3.61,3.24,;-4.94,2.47,;-4.94,.93,;-6.28,.16,;-6.28,-1.38,;-4.94,-2.15,;-4.94,-3.69,;-6.28,-4.46,;-6.28,-6,;-7.61,-3.69,;-7.61,-2.15,;-3.61,.16,;-2.28,.93,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;.39,.93,;1.72,.16,)|
Show InChI InChI=1S/C29H33Cl2N5O6/c1-4-23(38)35-14-19(15-35)42-10-9-36-27-16(13-32-29(34-27)33-17-5-7-18(37)8-6-17)11-20(28(36)39)24-25(30)21(40-2)12-22(41-3)26(24)31/h4,11-13,17-19,37H,1,5-10,14-15H2,2-3H3,(H,32,33,34)/t17-,18-
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



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))
BDBM287158
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |r,wU:19.19,wD:22.23,(4.39,7.86,;3.06,7.09,;3.06,5.55,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;1.72,3.24,;1.72,4.78,;.39,5.55,;.39,2.47,;-.94,3.24,;-2.28,2.47,;-3.61,3.24,;-4.94,2.47,;-4.94,.93,;-6.28,.16,;-6.28,-1.38,;-4.94,-2.15,;-4.94,-3.69,;-6.28,-4.46,;-6.28,-6,;-7.61,-3.69,;-7.61,-2.15,;-3.61,.16,;-2.28,.93,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;.39,.93,;1.72,.16,)|
Show InChI InChI=1S/C29H33Cl2N5O6/c1-4-23(38)35-14-19(15-35)42-10-9-36-27-16(13-32-29(34-27)33-17-5-7-18(37)8-6-17)11-20(28(36)39)24-25(30)21(40-2)12-22(41-3)26(24)31/h4,11-13,17-19,37H,1,5-10,14-15H2,2-3H3,(H,32,33,34)/t17-,18-
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))
BDBM287158
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |r,wU:19.19,wD:22.23,(4.39,7.86,;3.06,7.09,;3.06,5.55,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;1.72,3.24,;1.72,4.78,;.39,5.55,;.39,2.47,;-.94,3.24,;-2.28,2.47,;-3.61,3.24,;-4.94,2.47,;-4.94,.93,;-6.28,.16,;-6.28,-1.38,;-4.94,-2.15,;-4.94,-3.69,;-6.28,-4.46,;-6.28,-6,;-7.61,-3.69,;-7.61,-2.15,;-3.61,.16,;-2.28,.93,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;.39,.93,;1.72,.16,)|
Show InChI InChI=1S/C29H33Cl2N5O6/c1-4-23(38)35-14-19(15-35)42-10-9-36-27-16(13-32-29(34-27)33-17-5-7-18(37)8-6-17)11-20(28(36)39)24-25(30)21(40-2)12-22(41-3)26(24)31/h4,11-13,17-19,37H,1,5-10,14-15H2,2-3H3,(H,32,33,34)/t17-,18-
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 6.10n/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))
BDBM287158
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |r,wU:19.19,wD:22.23,(4.39,7.86,;3.06,7.09,;3.06,5.55,;4.39,4.78,;4.39,3.24,;5.73,2.47,;7.06,3.24,;3.06,2.47,;3.06,.93,;1.72,3.24,;1.72,4.78,;.39,5.55,;.39,2.47,;-.94,3.24,;-2.28,2.47,;-3.61,3.24,;-4.94,2.47,;-4.94,.93,;-6.28,.16,;-6.28,-1.38,;-4.94,-2.15,;-4.94,-3.69,;-6.28,-4.46,;-6.28,-6,;-7.61,-3.69,;-7.61,-2.15,;-3.61,.16,;-2.28,.93,;-.94,.16,;-.94,-1.38,;.39,-2.15,;.39,-3.69,;1.72,-4.46,;2.12,-5.95,;3.61,-5.55,;3.21,-4.06,;4.94,-6.32,;4.94,-7.86,;6.28,-5.55,;7.61,-6.32,;.39,.93,;1.72,.16,)|
Show InChI InChI=1S/C29H33Cl2N5O6/c1-4-23(38)35-14-19(15-35)42-10-9-36-27-16(13-32-29(34-27)33-17-5-7-18(37)8-6-17)11-20(28(36)39)24-25(30)21(40-2)12-22(41-3)26(24)31/h4,11-13,17-19,37H,1,5-10,14-15H2,2-3H3,(H,32,33,34)/t17-,18-
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 6.10n/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