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SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O

InChI Key: InChIKey=GWOHWBYOVFLZGM-LJQANCHMSA-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 = 287015   
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))
BDBM287015
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r,wD:19.19,(1.96,8.47,;3.29,7.7,;3.29,6.16,;4.62,5.39,;4.62,3.85,;5.96,3.08,;7.29,3.85,;3.29,3.08,;3.29,1.54,;1.96,3.85,;1.96,5.39,;.62,6.16,;.62,3.08,;-.71,3.85,;-2.04,3.08,;-3.38,3.85,;-4.71,3.08,;-4.71,1.54,;-6.05,.77,;-6.05,-.77,;-4.8,-1.68,;-5.28,-3.14,;-6.82,-3.14,;-7.29,-1.68,;-3.38,.77,;-2.04,1.54,;-.71,.77,;-.71,-.77,;.62,-1.54,;.62,-3.08,;1.96,-3.85,;1.96,-5.39,;3.29,-6.16,;4.62,-5.39,;4.62,-3.85,;3.29,-3.08,;5.96,-6.16,;7.29,-5.39,;5.96,-7.7,;7.29,-8.47,;.62,1.54,;1.96,.77,)|
Show InChI InChI=1S/C29H34Cl2N6O5/c1-4-23(38)36-11-9-35(10-12-36)7-5-8-37-27-18(16-32-29(34-27)33-19-6-13-42-17-19)14-20(28(37)39)24-25(30)21(40-2)15-22(41-3)26(24)31/h4,14-16,19H,1,5-13,17H2,2-3H3,(H,32,33,34)/t19-/m1/s1
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n/an/a 0.700n/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))
BDBM287015
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r,wD:19.19,(1.96,8.47,;3.29,7.7,;3.29,6.16,;4.62,5.39,;4.62,3.85,;5.96,3.08,;7.29,3.85,;3.29,3.08,;3.29,1.54,;1.96,3.85,;1.96,5.39,;.62,6.16,;.62,3.08,;-.71,3.85,;-2.04,3.08,;-3.38,3.85,;-4.71,3.08,;-4.71,1.54,;-6.05,.77,;-6.05,-.77,;-4.8,-1.68,;-5.28,-3.14,;-6.82,-3.14,;-7.29,-1.68,;-3.38,.77,;-2.04,1.54,;-.71,.77,;-.71,-.77,;.62,-1.54,;.62,-3.08,;1.96,-3.85,;1.96,-5.39,;3.29,-6.16,;4.62,-5.39,;4.62,-3.85,;3.29,-3.08,;5.96,-6.16,;7.29,-5.39,;5.96,-7.7,;7.29,-8.47,;.62,1.54,;1.96,.77,)|
Show InChI InChI=1S/C29H34Cl2N6O5/c1-4-23(38)36-11-9-35(10-12-36)7-5-8-37-27-18(16-32-29(34-27)33-19-6-13-42-17-19)14-20(28(37)39)24-25(30)21(40-2)15-22(41-3)26(24)31/h4,14-16,19H,1,5-13,17H2,2-3H3,(H,32,33,34)/t19-/m1/s1
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n/an/a 0.700n/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))
BDBM287015
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r,wD:19.19,(1.96,8.47,;3.29,7.7,;3.29,6.16,;4.62,5.39,;4.62,3.85,;5.96,3.08,;7.29,3.85,;3.29,3.08,;3.29,1.54,;1.96,3.85,;1.96,5.39,;.62,6.16,;.62,3.08,;-.71,3.85,;-2.04,3.08,;-3.38,3.85,;-4.71,3.08,;-4.71,1.54,;-6.05,.77,;-6.05,-.77,;-4.8,-1.68,;-5.28,-3.14,;-6.82,-3.14,;-7.29,-1.68,;-3.38,.77,;-2.04,1.54,;-.71,.77,;-.71,-.77,;.62,-1.54,;.62,-3.08,;1.96,-3.85,;1.96,-5.39,;3.29,-6.16,;4.62,-5.39,;4.62,-3.85,;3.29,-3.08,;5.96,-6.16,;7.29,-5.39,;5.96,-7.7,;7.29,-8.47,;.62,1.54,;1.96,.77,)|
Show InChI InChI=1S/C29H34Cl2N6O5/c1-4-23(38)36-11-9-35(10-12-36)7-5-8-37-27-18(16-32-29(34-27)33-19-6-13-42-17-19)14-20(28(37)39)24-25(30)21(40-2)15-22(41-3)26(24)31/h4,14-16,19H,1,5-13,17H2,2-3H3,(H,32,33,34)/t19-/m1/s1
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n/an/a 0.700n/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))
BDBM287015
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r,wD:19.19,(1.96,8.47,;3.29,7.7,;3.29,6.16,;4.62,5.39,;4.62,3.85,;5.96,3.08,;7.29,3.85,;3.29,3.08,;3.29,1.54,;1.96,3.85,;1.96,5.39,;.62,6.16,;.62,3.08,;-.71,3.85,;-2.04,3.08,;-3.38,3.85,;-4.71,3.08,;-4.71,1.54,;-6.05,.77,;-6.05,-.77,;-4.8,-1.68,;-5.28,-3.14,;-6.82,-3.14,;-7.29,-1.68,;-3.38,.77,;-2.04,1.54,;-.71,.77,;-.71,-.77,;.62,-1.54,;.62,-3.08,;1.96,-3.85,;1.96,-5.39,;3.29,-6.16,;4.62,-5.39,;4.62,-3.85,;3.29,-3.08,;5.96,-6.16,;7.29,-5.39,;5.96,-7.7,;7.29,-8.47,;.62,1.54,;1.96,.77,)|
Show InChI InChI=1S/C29H34Cl2N6O5/c1-4-23(38)36-11-9-35(10-12-36)7-5-8-37-27-18(16-32-29(34-27)33-19-6-13-42-17-19)14-20(28(37)39)24-25(30)21(40-2)15-22(41-3)26(24)31/h4,14-16,19H,1,5-13,17H2,2-3H3,(H,32,33,34)/t19-/m1/s1
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n/an/a 6.40n/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))
BDBM287015
PNG
((R)-8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCOC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r,wD:19.19,(1.96,8.47,;3.29,7.7,;3.29,6.16,;4.62,5.39,;4.62,3.85,;5.96,3.08,;7.29,3.85,;3.29,3.08,;3.29,1.54,;1.96,3.85,;1.96,5.39,;.62,6.16,;.62,3.08,;-.71,3.85,;-2.04,3.08,;-3.38,3.85,;-4.71,3.08,;-4.71,1.54,;-6.05,.77,;-6.05,-.77,;-4.8,-1.68,;-5.28,-3.14,;-6.82,-3.14,;-7.29,-1.68,;-3.38,.77,;-2.04,1.54,;-.71,.77,;-.71,-.77,;.62,-1.54,;.62,-3.08,;1.96,-3.85,;1.96,-5.39,;3.29,-6.16,;4.62,-5.39,;4.62,-3.85,;3.29,-3.08,;5.96,-6.16,;7.29,-5.39,;5.96,-7.7,;7.29,-8.47,;.62,1.54,;1.96,.77,)|
Show InChI InChI=1S/C29H34Cl2N6O5/c1-4-23(38)36-11-9-35(10-12-36)7-5-8-37-27-18(16-32-29(34-27)33-19-6-13-42-17-19)14-20(28(37)39)24-25(30)21(40-2)15-22(41-3)26(24)31/h4,14-16,19H,1,5-13,17H2,2-3H3,(H,32,33,34)/t19-/m1/s1
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n/an/a 6.40n/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