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Compile Data Set for Download or QSAR

Found 448 hits with Last Name = 'kiffe' and Initial = 'm'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50536826
PNG
(CHEMBL4590355)
Show SMILES CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5n(C)cnc5c4)c3c2)n1 |(29.26,-10.25,;27.93,-11.02,;27.94,-12.56,;29.28,-13.33,;29.28,-14.87,;27.95,-15.64,;26.62,-14.88,;25.29,-15.64,;23.96,-14.88,;23.95,-13.33,;22.62,-12.56,;21.29,-13.34,;19.82,-12.85,;18.9,-14.1,;17.36,-14.08,;19.8,-15.36,;19.31,-16.81,;20.33,-17.95,;19.85,-19.4,;18.34,-19.72,;17.32,-18.56,;17.81,-17.11,;16.79,-15.96,;15.29,-16.26,;14.81,-17.71,;13.31,-18.01,;12.29,-16.86,;10.74,-16.84,;9.83,-18.07,;10.28,-15.37,;11.54,-14.47,;12.78,-15.39,;14.28,-15.1,;21.28,-14.89,;22.62,-15.65,;26.61,-13.34,)|
Show InChI InChI=1S/C27H24N8O/c1-17-12-18-8-9-19(32-27-29-11-10-25(28-2)33-27)13-23(18)35(17)22-6-4-5-7-24(22)36-20-14-21-26(30-15-20)34(3)16-31-21/h4-16H,1-3H3,(H2,28,29,32,33)
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 0.0800n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate a...

ACS Med Chem Lett 7: 735-40 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00167
BindingDB Entry DOI: 10.7270/Q2V69P3G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50536819
PNG
(CHEMBL4534250)
Show SMILES CNc1ccnc(Nc2ccc3sc(Cl)c(-c4cc(cnc4Cl)-c4c(C)ncn(C)c4=O)c3c2)n1 |(34.66,-43.04,;33.33,-43.82,;33.34,-45.35,;34.68,-46.12,;34.68,-47.66,;33.35,-48.43,;32.02,-47.66,;30.69,-48.43,;29.36,-47.67,;29.35,-46.12,;28.02,-45.36,;26.69,-46.13,;25.23,-45.65,;24.32,-46.89,;22.78,-46.88,;25.22,-48.14,;24.74,-49.6,;23.23,-49.91,;22.75,-51.37,;23.77,-52.52,;25.29,-52.2,;25.76,-50.74,;27.27,-50.42,;21.24,-51.68,;20.76,-53.14,;21.78,-54.29,;19.25,-53.46,;18.22,-52.31,;18.71,-50.84,;17.68,-49.69,;20.22,-50.53,;20.7,-49.07,;26.69,-47.67,;28.02,-48.44,;32.01,-46.13,)|
Show InChI InChI=1S/C24H19Cl2N7OS/c1-12-19(23(34)33(3)11-30-12)13-8-16(21(25)29-10-13)20-15-9-14(4-5-17(15)35-22(20)26)31-24-28-7-6-18(27-2)32-24/h4-11H,1-3H3,(H2,27,28,31,32)
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 0.360n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate a...

ACS Med Chem Lett 7: 735-40 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00167
BindingDB Entry DOI: 10.7270/Q2V69P3G
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50529550
PNG
(CHEMBL4446126)
Show SMILES COc1nc(Nc2cc(ccc2N[C@@H](c2cccc3OC(F)(F)Oc23)c2ncccc2Cl)S(C)(=O)=O)nc(n1)N1CCNCC1 |r|
Show InChI InChI=1S/C28H27ClF2N8O5S/c1-42-27-37-25(36-26(38-27)39-13-11-32-12-14-39)35-20-15-16(45(2,40)41)8-9-19(20)34-22(23-18(29)6-4-10-33-23)17-5-3-7-21-24(17)44-28(30,31)43-21/h3-10,15,22,32,34H,11-14H2,1-2H3,(H,35,36,37,38)/t22-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of 0.05 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for...

ACS Med Chem Lett 10: 1655-1660 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00452
BindingDB Entry DOI: 10.7270/Q2RV0S5T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50529551
PNG
(CHEMBL4435508)
Show SMILES COc1nc(N)nc(Nc2cc(ccc2N[C@@H](c2cccc3OC(F)(F)Oc23)c2ncccc2Cl)S(N)(=O)=O)n1 |r|
Show InChI InChI=1S/C23H19ClF2N8O5S/c1-37-22-33-20(27)32-21(34-22)31-15-10-11(40(28,35)36)7-8-14(15)30-17(18-13(24)5-3-9-29-18)12-4-2-6-16-19(12)39-23(25,26)38-16/h2-10,17,30H,1H3,(H2,28,35,36)(H3,27,31,32,33,34)/t17-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of 0.05 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for...

ACS Med Chem Lett 10: 1655-1660 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00452
BindingDB Entry DOI: 10.7270/Q2RV0S5T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50529554
PNG
(CHEMBL4567485)
Show SMILES COc1nc(Nc2cc(ccc2N[C@@H](c2cccc3OC(F)(F)Oc23)c2ncccc2Cl)S(C)(=O)=O)nc(OC)n1 |r|
Show InChI InChI=1S/C25H21ClF2N6O6S/c1-37-23-32-22(33-24(34-23)38-2)31-17-12-13(41(3,35)36)9-10-16(17)30-19(20-15(26)7-5-11-29-20)14-6-4-8-18-21(14)40-25(27,28)39-18/h4-12,19,30H,1-3H3,(H,31,32,33,34)/t19-/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of 0.05 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for...

ACS Med Chem Lett 10: 1655-1660 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00452
BindingDB Entry DOI: 10.7270/Q2RV0S5T
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559106
PNG
(CHEMBL4786195)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@@H](CC4=O)N(C)C)c(C=O)nc23)ncc1C#N |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209349
PNG
(US9266883, 148)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)COC)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C24H29N7O5/c1-30(22(33)15-36-3)13-17-9-16-5-4-7-31(23(16)28-20(17)14-32)24(34)29-21-10-19(26-6-8-35-2)18(11-25)12-27-21/h9-10,12,14H,4-8,13,15H2,1-3H3,(H2,26,27,29,34)
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559126
PNG
(CHEMBL4796410)
Show SMILES CC(C)Nc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc23)ncc1C#N
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50536826
PNG
(CHEMBL4590355)
Show SMILES CNc1ccnc(Nc2ccc3cc(C)n(-c4ccccc4Oc4cnc5n(C)cnc5c4)c3c2)n1 |(29.26,-10.25,;27.93,-11.02,;27.94,-12.56,;29.28,-13.33,;29.28,-14.87,;27.95,-15.64,;26.62,-14.88,;25.29,-15.64,;23.96,-14.88,;23.95,-13.33,;22.62,-12.56,;21.29,-13.34,;19.82,-12.85,;18.9,-14.1,;17.36,-14.08,;19.8,-15.36,;19.31,-16.81,;20.33,-17.95,;19.85,-19.4,;18.34,-19.72,;17.32,-18.56,;17.81,-17.11,;16.79,-15.96,;15.29,-16.26,;14.81,-17.71,;13.31,-18.01,;12.29,-16.86,;10.74,-16.84,;9.83,-18.07,;10.28,-15.37,;11.54,-14.47,;12.78,-15.39,;14.28,-15.1,;21.28,-14.89,;22.62,-15.65,;26.61,-13.34,)|
Show InChI InChI=1S/C27H24N8O/c1-17-12-18-8-9-19(32-27-29-11-10-25(28-2)33-27)13-23(18)35(17)22-6-4-5-7-24(22)36-20-14-21-26(30-15-20)34(3)16-31-21/h4-16H,1-3H3,(H2,28,29,32,33)
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate a...

ACS Med Chem Lett 7: 735-40 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00167
BindingDB Entry DOI: 10.7270/Q2V69P3G
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209334
PNG
(US9266883, 98)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C24H27N7O5/c1-35-7-4-26-19-10-21(27-12-18(19)11-25)29-24(34)31-5-2-3-16-9-17(20(14-32)28-23(16)31)13-30-6-8-36-15-22(30)33/h9-10,12,14H,2-8,13,15H2,1H3,(H2,26,27,29,34)
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50529544
PNG
(CHEMBL4557484)
Show SMILES COc1nc(Nc2cc(ccc2N[C@@H](c2cccc(Cl)c2F)c2ncccc2F)S(C)(=O)=O)nc(OC)n1 |r|
Show InChI InChI=1S/C24H21ClF2N6O4S/c1-36-23-31-22(32-24(33-23)37-2)30-18-12-13(38(3,34)35)9-10-17(18)29-20(21-16(26)8-5-11-28-21)14-6-4-7-15(25)19(14)27/h4-12,20,29H,1-3H3,(H,30,31,32,33)/t20-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of 0.05 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for...

ACS Med Chem Lett 10: 1655-1660 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00452
BindingDB Entry DOI: 10.7270/Q2RV0S5T
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559105
PNG
(CHEMBL4754106)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@H](CC4=O)N(C)C)c(C=O)nc23)ncc1C#N |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209275
PNG
(US9266883, 33)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O3/c1-12(2)27-16-8-17(21-10-14(16)9-20)23-19(26)24-7-3-4-13-5-6-15(11-25)22-18(13)24/h5-6,8,10-12H,3-4,7H2,1-2H3,(H,21,23,26)
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559116
PNG
(CHEMBL4764394)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc23)ncc1C#N
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559121
PNG
(CHEMBL4758832)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)S(C)(=O)=O)c(C=O)nc23)ncc1C#N
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559123
PNG
(CHEMBL4745780)
Show SMILES CCN(Cc1cc2CCCN(C(=O)Nc3cc(NCCOC)c(cn3)C#N)c2nc1C=O)C(C)=O
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559128
PNG
(CHEMBL4742811)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc23)ncc1C#N
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559108
PNG
(CHEMBL4745615)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](N(C)C)C4=O)c(C=O)nc23)ncc1C#N |r|
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559111
PNG
(CHEMBL4791610)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc23)ncc1C#N
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559122
PNG
(CHEMBL4756889)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C(C)C)C(C)=O)c(C=O)nc23)ncc1C#N
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209268
PNG
(US9266883, 26)
Show SMILES CC1(O)CCN(CC1)c1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C22H24N6O3/c1-22(31)6-9-27(10-7-22)18-11-19(24-13-16(18)12-23)26-21(30)28-8-2-3-15-4-5-17(14-29)25-20(15)28/h4-5,11,13-14,31H,2-3,6-10H2,1H3,(H,24,26,30)
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559124
PNG
(CHEMBL4784921)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C(C)C)c(C=O)nc23)ncc1C#N
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559112
PNG
(CHEMBL4764678)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)(F)F)CC4)c(C=O)nc23)ncc1C#N
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559125
PNG
(CHEMBL4759211)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc23)ncc1C#N
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209265
PNG
(US9266883, 23)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O4/c1-27-7-8-28-16-9-17(21-11-14(16)10-20)23-19(26)24-6-2-3-13-4-5-15(12-25)22-18(13)24/h4-5,9,11-12H,2-3,6-8H2,1H3,(H,21,23,26)
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559104
PNG
(CHEMBL4778828)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)C(=O)C4)c(C=O)nc23)ncc1C#N
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50536819
PNG
(CHEMBL4534250)
Show SMILES CNc1ccnc(Nc2ccc3sc(Cl)c(-c4cc(cnc4Cl)-c4c(C)ncn(C)c4=O)c3c2)n1 |(34.66,-43.04,;33.33,-43.82,;33.34,-45.35,;34.68,-46.12,;34.68,-47.66,;33.35,-48.43,;32.02,-47.66,;30.69,-48.43,;29.36,-47.67,;29.35,-46.12,;28.02,-45.36,;26.69,-46.13,;25.23,-45.65,;24.32,-46.89,;22.78,-46.88,;25.22,-48.14,;24.74,-49.6,;23.23,-49.91,;22.75,-51.37,;23.77,-52.52,;25.29,-52.2,;25.76,-50.74,;27.27,-50.42,;21.24,-51.68,;20.76,-53.14,;21.78,-54.29,;19.25,-53.46,;18.22,-52.31,;18.71,-50.84,;17.68,-49.69,;20.22,-50.53,;20.7,-49.07,;26.69,-47.67,;28.02,-48.44,;32.01,-46.13,)|
Show InChI InChI=1S/C24H19Cl2N7OS/c1-12-19(23(34)33(3)11-30-12)13-8-16(21(25)29-10-13)20-15-9-14(4-5-17(15)35-22(20)26)31-24-28-7-6-18(27-2)32-24/h4-11H,1-3H3,(H2,27,28,31,32)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate a...

ACS Med Chem Lett 7: 735-40 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00167
BindingDB Entry DOI: 10.7270/Q2V69P3G
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559101
PNG
(CHEMBL4789692)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4C(=O)CN(C)CC4(C)C)c(C=O)nc23)ncc1C#N
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559099
PNG
(CHEMBL4758510)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559118
PNG
(CHEMBL4284069)
Show SMILES COc1cc(CCc2cc(NC(=O)c3ccccc3NC(=O)C=C)n[nH]2)cc(OC)c1
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559107
PNG
(CHEMBL4752511)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](N(C)C)C4=O)c(C=O)nc23)ncc1C#N |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209336
PNG
(US9266883, 101)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O5/c1-30-6-7-31(23(34)15-30)14-18-10-17-4-3-5-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-2)19(12-26)13-27-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H,27,29,35)
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 kinase domain (388 to 802) (unknown origin) using 5-Fluo-Ahx-KKKKEEIYFFFG-NH2 peptide as substrate in presence of ATP measured af...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00267
BindingDB Entry DOI: 10.7270/Q28P64KJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559129
PNG
(CHEMBL4781882)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(Br)c(C=O)nc23)ncc1C#N
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559110
PNG
(CHEMBL4780066)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)C(C)=O)c(C=O)nc23)ncc1C#N
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559117
PNG
(CHEMBL4784243)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc23)ncc1C#N
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50529549
PNG
(CHEMBL4448208)
Show SMILES CS(=O)(=O)c1ccc(N[C@H](c2ccccn2)c2cccc(Cl)c2F)c(Nc2nccc(n2)C(N)=O)c1 |r|
Show InChI InChI=1S/C24H20ClFN6O3S/c1-36(34,35)14-8-9-17(20(13-14)32-24-29-12-10-19(31-24)23(27)33)30-22(18-7-2-3-11-28-18)15-5-4-6-16(25)21(15)26/h2-13,22,30H,1H3,(H2,27,33)(H,29,31,32)/t22-/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of 0.05 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for...

ACS Med Chem Lett 10: 1655-1660 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00452
BindingDB Entry DOI: 10.7270/Q2RV0S5T
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50465111
PNG
(CHEMBL4279514)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(cc2OCC(C)C)N2CCC(CC2)N(C)C)ncc1C#N)C(N)=O |r,c:5|
Show InChI InChI=1S/C30H40N8O2/c1-18(2)17-40-25-14-23(38-11-9-22(10-12-38)37(3)4)7-8-24(25)34-30-33-16-21(15-31)29(36-30)35-27-20-6-5-19(13-20)26(27)28(32)39/h5-8,14,16,18-20,22,26-27H,9-13,17H2,1-4H3,(H2,32,39)(H2,33,34,35,36)/t19-,20+,26+,27-/m1/s1
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559109
PNG
(CHEMBL4777580)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)S(C)(=O)=O)c(C=O)nc23)ncc1C#N
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TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559100
PNG
(CHEMBL4787060)
Show SMILES COC[C@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209305
PNG
(US9266883, 63)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C20H19F2N5O4/c1-30-5-6-31-16-8-17(24-10-13(16)9-23)26-20(29)27-4-2-3-12-7-14(18(21)22)15(11-28)25-19(12)27/h7-8,10-11,18H,2-6H2,1H3,(H,24,26,29)
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209377
PNG
(US9266883, 249)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(C4CCOCC4)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C24H28N6O4/c1-33-10-6-26-20-12-22(27-14-18(20)13-25)29-24(32)30-7-2-3-17-11-19(16-4-8-34-9-5-16)21(15-31)28-23(17)30/h11-12,14-16H,2-10H2,1H3,(H2,26,27,29,32)
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Mus musculus)		BDBM50559126
PNG
(CHEMBL4796410)
Show SMILES CC(C)Nc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc23)ncc1C#N
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphorylation incubated for 40 mins

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559103
PNG
(CHEMBL4752290)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@H](C)N[C@H](C)C4)c(C=O)nc23)ncc1C#N |r|
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209322
PNG
(US9266883, 80)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C20H22N6O4/c1-30-6-4-22-16-8-18(23-10-15(16)9-21)25-20(29)26-5-2-3-13-7-14(11-27)17(12-28)24-19(13)26/h7-8,10,12,27H,2-6,11H2,1H3,(H2,22,23,25,29)
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Mus musculus)		BDBM50559129
PNG
(CHEMBL4781882)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(Br)c(C=O)nc23)ncc1C#N
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphorylation incubated for 40 mins

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209380
PNG
(US9266883, 252)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(-c4cnc(C)s4)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C23H23N7O3S/c1-14-26-12-20(34-14)17-8-15-4-3-6-30(22(15)28-19(17)13-31)23(32)29-21-9-18(25-5-7-33-2)16(10-24)11-27-21/h8-9,11-13H,3-7H2,1-2H3,(H2,25,27,29,32)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50559114
PNG
(CHEMBL4779862)
Show SMILES CN(C)CC(C)(C)COc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc23)ncc1C#N
PDB

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n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209281
PNG
(US9266883, 39)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C20H21N5O5/c1-29-5-6-30-17-8-18(22-10-15(17)9-21)24-20(28)25-4-2-3-13-7-14(11-26)16(12-27)23-19(13)25/h7-8,10,12,26H,2-6,11H2,1H3,(H,22,24,28)
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01019
BindingDB Entry DOI: 10.7270/Q2FB56MJ
More data for this
Ligand-Target Pair
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