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13 similar compounds to monomer 16673

Wt: 536.8
BDBM92354
Wt: 563.9
BDBM50139596
Wt: 509.2
BDBM50139601
Wt: 492.8
BDBM50139634
Wt: 478.8
BDBM50139610
Wt: 478.8
BDBM50139614
Wt: 527.8
BDBM50249245
Wt: 508.8
BDBM50249276
Wt: 611.9
BDBM50249277
Wt: 569.9
BDBM50249278
Wt: 464.8
BDBM50349120
Wt: 482.8
BDBM50363397
Purchase
Wt: 450.7
BDBM50375257

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 92354,50139596,50139601,50139634,50139610,50139614,50249245,50249276,50249277,50249278,50349120,50363397,50375257   
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
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92354
PNG
(Sorafenib derivative, 17)
Show SMILES OC(=O)CCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C24H20ClF3N4O5/c25-19-8-5-15(12-18(19)24(26,27)28)32-23(36)31-14-3-6-16(7-4-14)37-17-9-11-29-20(13-17)22(35)30-10-1-2-21(33)34/h3-9,11-13H,1-2,10H2,(H,30,35)(H,33,34)(H2,31,32,36)
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n/an/a 154n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


ACS Chem Biol 7: 1257-67 (2012)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50139601
PNG
(1-(4-bromo-3-(trifluoromethyl)phenyl)-3-(4-(2-(met...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16BrF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 6n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)

More data for this
Ligand-Target Pair
Ephrin type-A receptor 2 (EPHA2)


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/an/a 869n/an/an/an/an/a



Technical University of Munich



Assay Description
Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M...


ACS Chem Biol 11: 3400-3411 (2016)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50139596
PNG
(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(c3)C(=O)NCCN3CCOCC3)cc2)ccc1Cl
Show InChI InChI=1S/C26H25ClF3N5O4/c27-22-6-3-18(15-21(22)26(28,29)30)34-25(37)33-17-1-4-19(5-2-17)39-20-7-8-31-23(16-20)24(36)32-9-10-35-11-13-38-14-12-35/h1-8,15-16H,9-14H2,(H,32,36)(H2,33,34,37)
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n/an/a 73n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against human Raf-1 kinase


Citation and Details
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50139601
PNG
(1-(4-bromo-3-(trifluoromethyl)phenyl)-3-(4-(2-(met...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16BrF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 6n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against human Raf-1 kinase


Citation and Details
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50139610
PNG
(4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)
Show SMILES CN(C)C(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C22H18ClF3N4O3/c1-30(2)20(31)19-12-16(9-10-27-19)33-15-6-3-13(4-7-15)28-21(32)29-14-5-8-18(23)17(11-14)22(24,25)26/h3-12H,1-2H3,(H2,28,29,32)
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n/an/a 300n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against human Raf-1 kinase


Citation and Details
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50139614
PNG
(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C22H18ClF3N4O3/c1-2-27-20(31)19-12-16(9-10-28-19)33-15-6-3-13(4-7-15)29-21(32)30-14-5-8-18(23)17(11-14)22(24,25)26/h3-12H,2H2,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 26n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against human Raf-1 kinase


Citation and Details
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50139634
PNG
(4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido...)
Show SMILES CC(C)NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C23H20ClF3N4O3/c1-13(2)29-21(32)20-12-17(9-10-28-20)34-16-6-3-14(4-7-16)30-22(33)31-15-5-8-19(24)18(11-15)23(25,26)27/h3-13H,1-2H3,(H,29,32)(H2,30,31,33)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against human Raf-1 kinase


Citation and Details
More data for this
Ligand-Target Pair
Glycine


()
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50139601
PNG
(1-(4-bromo-3-(trifluoromethyl)phenyl)-3-(4-(2-(met...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16BrF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 6n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf1 (unknown origin)


Eur J Med Chem 44: 1240-9 (2009)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50139614
PNG
(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C22H18ClF3N4O3/c1-2-27-20(31)19-12-16(9-10-28-19)33-15-6-3-13(4-7-15)29-21(32)30-14-5-8-18(23)17(11-14)22(24,25)26/h3-12H,2H2,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 26n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf1 (unknown origin)


Eur J Med Chem 44: 1240-9 (2009)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50249245
PNG
(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(c3)C(=O)Nc3cccnc3)cc2)ccc1Cl
Show InChI InChI=1S/C25H17ClF3N5O3/c26-21-8-5-16(12-20(21)25(27,28)29)34-24(36)33-15-3-6-18(7-4-15)37-19-9-11-31-22(13-19)23(35)32-17-2-1-10-30-14-17/h1-14H,(H,32,35)(H2,33,34,36)
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n/an/a 44n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf1 (unknown origin)


Eur J Med Chem 44: 1240-9 (2009)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50139596
PNG
(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(c3)C(=O)NCCN3CCOCC3)cc2)ccc1Cl
Show InChI InChI=1S/C26H25ClF3N5O4/c27-22-6-3-18(15-21(22)26(28,29)30)34-25(37)33-17-1-4-19(5-2-17)39-20-7-8-31-23(16-20)24(36)32-9-10-35-11-13-38-14-12-35/h1-8,15-16H,9-14H2,(H,32,36)(H2,33,34,37)
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n/an/a 73n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf1 (unknown origin)


Eur J Med Chem 44: 1240-9 (2009)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50249276
PNG
(4-(4-(3-(4-chloro-2-methoxy-5-(trifluoromethyl)phe...)
Show SMILES CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(c(Cl)cc3OC)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C23H20ClF3N4O4/c1-3-28-21(32)19-10-15(8-9-29-19)35-14-6-4-13(5-7-14)30-22(33)31-18-11-16(23(25,26)27)17(24)12-20(18)34-2/h4-12H,3H2,1-2H3,(H,28,32)(H2,30,31,33)
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n/an/a 88n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf1 (unknown origin)


Eur J Med Chem 44: 1240-9 (2009)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50249277
PNG
(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(c3)C(=O)Nc3ccc(cc3)N3CCOCC3)cc2)ccc1Cl
Show InChI InChI=1S/C30H25ClF3N5O4/c31-26-10-5-21(17-25(26)30(32,33)34)38-29(41)37-20-3-8-23(9-4-20)43-24-11-12-35-27(18-24)28(40)36-19-1-6-22(7-2-19)39-13-15-42-16-14-39/h1-12,17-18H,13-16H2,(H,36,40)(H2,37,38,41)
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n/an/a 160n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf1 (unknown origin)


Eur J Med Chem 44: 1240-9 (2009)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50249278
PNG
(4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido...)
Show SMILES CN(C)c1ccc(NC(=O)c2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)ccn2)cc1
Show InChI InChI=1S/C28H23ClF3N5O3/c1-37(2)20-8-3-17(4-9-20)34-26(38)25-16-22(13-14-33-25)40-21-10-5-18(6-11-21)35-27(39)36-19-7-12-24(29)23(15-19)28(30,31)32/h3-16H,1-2H3,(H,34,38)(H2,35,36,39)
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n/an/a 230n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf1 (unknown origin)


Eur J Med Chem 44: 1240-9 (2009)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50349120
PNG
(CHEMBL1807196)
Show SMILES CNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(7-8-27-18)32-14-4-2-3-12(9-14)28-20(31)29-13-5-6-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 6n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of RET kinase


Bioorg Med Chem Lett 21: 4490-7 (2011)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 28n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of wild-type B-Raf


Bioorg Med Chem Lett 22: 789-92 (2012)

More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 0.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...


Bioorg Med Chem Lett 23: 3732-7 (2013)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50375257
PNG
(CHEMBL403732)
Show SMILES NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C20H14ClF3N4O3/c21-16-6-3-12(9-15(16)20(22,23)24)28-19(30)27-11-1-4-13(5-2-11)31-14-7-8-26-17(10-14)18(25)29/h1-10H,(H2,25,29)(H2,27,28,30)
PDB
MMDB

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UniChem

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PubMed
n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM92354
PNG
(Sorafenib derivative, 17)
Show SMILES OC(=O)CCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C24H20ClF3N4O5/c25-19-8-5-15(12-18(19)24(26,27)28)32-23(36)31-14-3-6-16(7-4-14)37-17-9-11-29-20(13-17)22(35)30-10-1-2-21(33)34/h3-9,11-13H,1-2,10H2,(H,30,35)(H,33,34)(H2,31,32,36)
PDB
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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


ACS Chem Biol 7: 1257-67 (2012)

More data for this
Ligand-Target Pair