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BDBM365216 1-{2-[2-amino-5-(4,4,5,5- tetramethyl-1,3,2- dioxaborolan-2-yl)pyridin-3- yl]-1-benzothien-5-yl}-3-[4- chloro-3- (trifluoromethyl)phenyl]ure::US10633373, Example 25::US10669265, Example 25::US9868726, Example 25

SMILES: CC1(C)OB(OC1(C)C)c1cnc(N)c(c1)-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1

InChI Key: InChIKey=JSYLKKLOSDAHJF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 365216   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM365216
PNG
(1-{2-[2-amino-5-(4,4,5,5- tetramethyl-1,3,2- dioxa...)
Show SMILES CC1(C)OB(OC1(C)C)c1cnc(N)c(c1)-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C27H25BClF3N4O3S/c1-25(2)26(3,4)39-28(38-25)15-11-18(23(33)34-13-15)22-10-14-9-16(6-8-21(14)40-22)35-24(37)36-17-5-7-20(29)19(12-17)27(30,31)32/h5-13H,1-4H3,(H2,33,34)(H2,35,36,37)
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n/an/a 16n/an/an/an/an/an/a



Amgen



Assay Description
Biochemical PDGFRβ kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg of poly-Glu-Tyr (4:1) in...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2DB8465
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM365216
PNG
(1-{2-[2-amino-5-(4,4,5,5- tetramethyl-1,3,2- dioxa...)
Show SMILES CC1(C)OB(OC1(C)C)c1cnc(N)c(c1)-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C27H25BClF3N4O3S/c1-25(2)26(3,4)39-28(38-25)15-11-18(23(33)34-13-15)22-10-14-9-16(6-8-21(14)40-22)35-24(37)36-17-5-7-20(29)19(12-17)27(30,31)32/h5-13H,1-4H3,(H2,33,34)(H2,35,36,37)
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n/an/a 21n/an/an/an/an/an/a



Amgen



Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg/well of poly-Glu-Tyr (4:1) in 10...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2DB8465
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM365216
PNG
(1-{2-[2-amino-5-(4,4,5,5- tetramethyl-1,3,2- dioxa...)
Show SMILES CC1(C)OB(OC1(C)C)c1cnc(N)c(c1)-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C27H25BClF3N4O3S/c1-25(2)26(3,4)39-28(38-25)15-11-18(23(33)34-13-15)22-10-14-9-16(6-8-21(14)40-22)35-24(37)36-17-5-7-20(29)19(12-17)27(30,31)32/h5-13H,1-4H3,(H2,33,34)(H2,35,36,37)
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n/an/a 21n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
Biochemical PDGFRβ kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg of poly-Glu-Tyr (4:1) in...


US Patent US10669265 (2020)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM365216
PNG
(1-{2-[2-amino-5-(4,4,5,5- tetramethyl-1,3,2- dioxa...)
Show SMILES CC1(C)OB(OC1(C)C)c1cnc(N)c(c1)-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C27H25BClF3N4O3S/c1-25(2)26(3,4)39-28(38-25)15-11-18(23(33)34-13-15)22-10-14-9-16(6-8-21(14)40-22)35-24(37)36-17-5-7-20(29)19(12-17)27(30,31)32/h5-13H,1-4H3,(H2,33,34)(H2,35,36,37)
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n/an/a 21n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
PDGFRβ: Biochemical PDGFRβ kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg of poly-Glu...


US Patent US10633373 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM365216
PNG
(1-{2-[2-amino-5-(4,4,5,5- tetramethyl-1,3,2- dioxa...)
Show SMILES CC1(C)OB(OC1(C)C)c1cnc(N)c(c1)-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C27H25BClF3N4O3S/c1-25(2)26(3,4)39-28(38-25)15-11-18(23(33)34-13-15)22-10-14-9-16(6-8-21(14)40-22)35-24(37)36-17-5-7-20(29)19(12-17)27(30,31)32/h5-13H,1-4H3,(H2,33,34)(H2,35,36,37)
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n/an/a 16n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg/well of poly-Glu-Tyr (4:1) in 10...


US Patent US10669265 (2020)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM365216
PNG
(1-{2-[2-amino-5-(4,4,5,5- tetramethyl-1,3,2- dioxa...)
Show SMILES CC1(C)OB(OC1(C)C)c1cnc(N)c(c1)-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C27H25BClF3N4O3S/c1-25(2)26(3,4)39-28(38-25)15-11-18(23(33)34-13-15)22-10-14-9-16(6-8-21(14)40-22)35-24(37)36-17-5-7-20(29)19(12-17)27(30,31)32/h5-13H,1-4H3,(H2,33,34)(H2,35,36,37)
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n/an/a 16n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
VEGFR2: Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 μg/well of poly-Glu-Tyr (4:...


US Patent US10633373 (2020)

More data for this
Ligand-Target Pair