BindingDB logo
myBDB logout

BDBM287534 8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-((3-morpholinopropyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one::US10294223, Cpd No. 96::US9567334, Example 96::US9815834, Compound 96

SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O

InChI Key: InChIKey=KBATXXSVGCJBDV-UHFFFAOYSA-N

Data: 4 IC50

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 = 287534   
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))		BDBM287534
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(6.39,7.86,;5.06,7.09,;5.06,5.55,;6.39,4.78,;6.39,3.24,;7.73,2.47,;9.06,3.24,;5.06,2.47,;5.06,.93,;3.72,3.24,;3.72,4.78,;2.39,5.55,;2.39,2.47,;1.06,3.24,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-2.94,.93,;-4.28,.16,;-4.28,-1.38,;-5.61,-2.15,;-5.61,-3.69,;-6.94,-4.46,;-8.28,-3.69,;-9.61,-4.46,;-9.61,-6,;-8.28,-6.77,;-6.94,-6,;-1.61,.16,;-.28,.93,;1.06,.16,;1.06,-1.38,;2.39,-2.15,;2.39,-3.69,;3.72,-4.46,;4.12,-5.95,;5.61,-5.55,;5.21,-4.06,;6.94,-6.32,;6.94,-7.86,;8.28,-5.55,;9.61,-6.32,;2.39,.93,;3.72,.16,)|
Show InChI InChI=1S/C30H36Cl2N6O6/c1-4-24(39)37-17-20(18-37)44-13-10-38-28-19(16-34-30(35-28)33-6-5-7-36-8-11-43-12-9-36)14-21(29(38)40)25-26(31)22(41-2)15-23(42-3)27(25)32/h4,14-16,20H,1,5-13,17-18H2,2-3H3,(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 4.20n/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))		BDBM287534
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(6.39,7.86,;5.06,7.09,;5.06,5.55,;6.39,4.78,;6.39,3.24,;7.73,2.47,;9.06,3.24,;5.06,2.47,;5.06,.93,;3.72,3.24,;3.72,4.78,;2.39,5.55,;2.39,2.47,;1.06,3.24,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-2.94,.93,;-4.28,.16,;-4.28,-1.38,;-5.61,-2.15,;-5.61,-3.69,;-6.94,-4.46,;-8.28,-3.69,;-9.61,-4.46,;-9.61,-6,;-8.28,-6.77,;-6.94,-6,;-1.61,.16,;-.28,.93,;1.06,.16,;1.06,-1.38,;2.39,-2.15,;2.39,-3.69,;3.72,-4.46,;4.12,-5.95,;5.61,-5.55,;5.21,-4.06,;6.94,-6.32,;6.94,-7.86,;8.28,-5.55,;9.61,-6.32,;2.39,.93,;3.72,.16,)|
Show InChI InChI=1S/C30H36Cl2N6O6/c1-4-24(39)37-17-20(18-37)44-13-10-38-28-19(16-34-30(35-28)33-6-5-7-36-8-11-43-12-9-36)14-21(29(38)40)25-26(31)22(41-2)15-23(42-3)27(25)32/h4,14-16,20H,1,5-13,17-18H2,2-3H3,(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 4.20n/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))		BDBM287534
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(6.39,7.86,;5.06,7.09,;5.06,5.55,;6.39,4.78,;6.39,3.24,;7.73,2.47,;9.06,3.24,;5.06,2.47,;5.06,.93,;3.72,3.24,;3.72,4.78,;2.39,5.55,;2.39,2.47,;1.06,3.24,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-2.94,.93,;-4.28,.16,;-4.28,-1.38,;-5.61,-2.15,;-5.61,-3.69,;-6.94,-4.46,;-8.28,-3.69,;-9.61,-4.46,;-9.61,-6,;-8.28,-6.77,;-6.94,-6,;-1.61,.16,;-.28,.93,;1.06,.16,;1.06,-1.38,;2.39,-2.15,;2.39,-3.69,;3.72,-4.46,;4.12,-5.95,;5.61,-5.55,;5.21,-4.06,;6.94,-6.32,;6.94,-7.86,;8.28,-5.55,;9.61,-6.32,;2.39,.93,;3.72,.16,)|
Show InChI InChI=1S/C30H36Cl2N6O6/c1-4-24(39)37-17-20(18-37)44-13-10-38-28-19(16-34-30(35-28)33-6-5-7-36-8-11-43-12-9-36)14-21(29(38)40)25-26(31)22(41-2)15-23(42-3)27(25)32/h4,14-16,20H,1,5-13,17-18H2,2-3H3,(H,33,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.20n/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))		BDBM287534
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(6.39,7.86,;5.06,7.09,;5.06,5.55,;6.39,4.78,;6.39,3.24,;7.73,2.47,;9.06,3.24,;5.06,2.47,;5.06,.93,;3.72,3.24,;3.72,4.78,;2.39,5.55,;2.39,2.47,;1.06,3.24,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-2.94,.93,;-4.28,.16,;-4.28,-1.38,;-5.61,-2.15,;-5.61,-3.69,;-6.94,-4.46,;-8.28,-3.69,;-9.61,-4.46,;-9.61,-6,;-8.28,-6.77,;-6.94,-6,;-1.61,.16,;-.28,.93,;1.06,.16,;1.06,-1.38,;2.39,-2.15,;2.39,-3.69,;3.72,-4.46,;4.12,-5.95,;5.61,-5.55,;5.21,-4.06,;6.94,-6.32,;6.94,-7.86,;8.28,-5.55,;9.61,-6.32,;2.39,.93,;3.72,.16,)|
Show InChI InChI=1S/C30H36Cl2N6O6/c1-4-24(39)37-17-20(18-37)44-13-10-38-28-19(16-34-30(35-28)33-6-5-7-36-8-11-43-12-9-36)14-21(29(38)40)25-26(31)22(41-2)15-23(42-3)27(25)32/h4,14-16,20H,1,5-13,17-18H2,2-3H3,(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 3.20n/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))		BDBM287534
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2,6-d...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(NCCCN3CCOCC3)nc2n(CCOC2CN(C2)C(=O)C=C)c1=O |(6.39,7.86,;5.06,7.09,;5.06,5.55,;6.39,4.78,;6.39,3.24,;7.73,2.47,;9.06,3.24,;5.06,2.47,;5.06,.93,;3.72,3.24,;3.72,4.78,;2.39,5.55,;2.39,2.47,;1.06,3.24,;-.28,2.47,;-1.61,3.24,;-2.94,2.47,;-2.94,.93,;-4.28,.16,;-4.28,-1.38,;-5.61,-2.15,;-5.61,-3.69,;-6.94,-4.46,;-8.28,-3.69,;-9.61,-4.46,;-9.61,-6,;-8.28,-6.77,;-6.94,-6,;-1.61,.16,;-.28,.93,;1.06,.16,;1.06,-1.38,;2.39,-2.15,;2.39,-3.69,;3.72,-4.46,;4.12,-5.95,;5.61,-5.55,;5.21,-4.06,;6.94,-6.32,;6.94,-7.86,;8.28,-5.55,;9.61,-6.32,;2.39,.93,;3.72,.16,)|
Show InChI InChI=1S/C30H36Cl2N6O6/c1-4-24(39)37-17-20(18-37)44-13-10-38-28-19(16-34-30(35-28)33-6-5-7-36-8-11-43-12-9-36)14-21(29(38)40)25-26(31)22(41-2)15-23(42-3)27(25)32/h4,14-16,20H,1,5-13,17-18H2,2-3H3,(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 3.20n/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