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SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O

InChI Key: InChIKey=UQMQQRVMHKYDCG-MEMLXQNLSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 287048   
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))
BDBM287048
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r,wU:19.19,wD:22.23,(2,8.47,;3.33,7.7,;3.33,6.16,;4.67,5.39,;4.67,3.85,;6,3.08,;7.34,3.85,;3.33,3.08,;3.33,1.54,;2,3.85,;2,5.39,;.67,6.16,;.67,3.08,;-.67,3.85,;-2,3.08,;-3.33,3.85,;-4.67,3.08,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-3.85,;-6,-5.39,;-7.34,-3.08,;-7.34,-1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;3.33,-3.08,;6,-6.16,;7.34,-5.39,;6,-7.7,;7.34,-8.47,;.67,1.54,;2,.77,)|
Show InChI InChI=1S/C31H38Cl2N6O5/c1-4-25(41)38-14-12-37(13-15-38)10-5-11-39-29-19(18-34-31(36-29)35-20-6-8-21(40)9-7-20)16-22(30(39)42)26-27(32)23(43-2)17-24(44-3)28(26)33/h4,16-18,20-21,40H,1,5-15H2,2-3H3,(H,34,35,36)/t20-,21-
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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))
BDBM287048
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r,wU:19.19,wD:22.23,(2,8.47,;3.33,7.7,;3.33,6.16,;4.67,5.39,;4.67,3.85,;6,3.08,;7.34,3.85,;3.33,3.08,;3.33,1.54,;2,3.85,;2,5.39,;.67,6.16,;.67,3.08,;-.67,3.85,;-2,3.08,;-3.33,3.85,;-4.67,3.08,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-3.85,;-6,-5.39,;-7.34,-3.08,;-7.34,-1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;3.33,-3.08,;6,-6.16,;7.34,-5.39,;6,-7.7,;7.34,-8.47,;.67,1.54,;2,.77,)|
Show InChI InChI=1S/C31H38Cl2N6O5/c1-4-25(41)38-14-12-37(13-15-38)10-5-11-39-29-19(18-34-31(36-29)35-20-6-8-21(40)9-7-20)16-22(30(39)42)26-27(32)23(43-2)17-24(44-3)28(26)33/h4,16-18,20-21,40H,1,5-15H2,2-3H3,(H,34,35,36)/t20-,21-
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n/an/a 0.900n/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))
BDBM287048
PNG
(8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dich...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(CCCN2CCN(CC2)C(=O)C=C)c1=O |r,wU:19.19,wD:22.23,(2,8.47,;3.33,7.7,;3.33,6.16,;4.67,5.39,;4.67,3.85,;6,3.08,;7.34,3.85,;3.33,3.08,;3.33,1.54,;2,3.85,;2,5.39,;.67,6.16,;.67,3.08,;-.67,3.85,;-2,3.08,;-3.33,3.85,;-4.67,3.08,;-4.67,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-3.85,;-6,-5.39,;-7.34,-3.08,;-7.34,-1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;2,-3.85,;2,-5.39,;3.33,-6.16,;4.67,-5.39,;4.67,-3.85,;3.33,-3.08,;6,-6.16,;7.34,-5.39,;6,-7.7,;7.34,-8.47,;.67,1.54,;2,.77,)|
Show InChI InChI=1S/C31H38Cl2N6O5/c1-4-25(41)38-14-12-37(13-15-38)10-5-11-39-29-19(18-34-31(36-29)35-20-6-8-21(40)9-7-20)16-22(30(39)42)26-27(32)23(43-2)17-24(44-3)28(26)33/h4,16-18,20-21,40H,1,5-15H2,2-3H3,(H,34,35,36)/t20-,21-
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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