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Compile Data Set for Download or QSAR

Found 529 hits with Last Name = 'nimsgern' and Initial = 'p'   
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
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50586261
PNG
(CHEMBL5078689)
Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
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UniChem
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n/an/a 0.0500n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00696
BindingDB Entry DOI: 10.7270/Q2W66QPP
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50586259
PNG
(CHEMBL5090067)
Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
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n/an/a 0.0800n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00696
BindingDB Entry DOI: 10.7270/Q2W66QPP
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50586262
PNG
(CHEMBL5091113)
Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.0800n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00696
BindingDB Entry DOI: 10.7270/Q2W66QPP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209350
PNG
(US9266883, 149)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCSCC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C24H27N7O4S/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)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
US Patent
n/an/a 0.100n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50586260
PNG
(CHEMBL5079910)
Show SMILES Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00696
BindingDB Entry DOI: 10.7270/Q2W66QPP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209374
PNG
(US9266883, 240)
Show SMILES CC(C)Sc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C23H26N6O3S/c1-14(2)33-20-9-21(25-11-18(20)10-24)27-23(32)29-7-5-6-16-8-17(12-28(4)15(3)31)19(13-30)26-22(16)29/h8-9,11,13-14H,5-7,12H2,1-4H3,(H,25,27,32)
PDB

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US Patent
n/an/a<0.100n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209258
PNG
(US9266883, 16)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1Cl
Show InChI InChI=1S/C23H23ClN6O4S/c1-14(2)35(33,34)19-8-4-3-7-18(19)27-20-17(24)12-25-22(28-20)29-23(32)30-11-5-6-15-9-10-16(13-31)26-21(15)30/h3-4,7-10,12-14H,5-6,11H2,1-2H3,(H2,25,27,28,29,32)
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GoogleScholar
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PC sid
UniChem
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n/an/a 0.200n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209388
PNG
(US9266883, 263)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(N4CCOC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C22H23N7O5/c1-33-7-4-24-16-10-19(25-12-15(16)11-23)27-21(31)29-5-2-3-14-9-18(17(13-30)26-20(14)29)28-6-8-34-22(28)32/h9-10,12-13H,2-8H2,1H3,(H2,24,25,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50586260
PNG
(CHEMBL5079910)
Show SMILES Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00696
BindingDB Entry DOI: 10.7270/Q2W66QPP
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|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC sid
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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 [388-802]


(Homo sapiens (Human))		BDBM209340
PNG
(US9266883, 115)
Show SMILES COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4[C@@H](C)COC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C25H28N6O6/c1-15-13-36-25(34)31(15)11-18-7-17-5-4-6-30(23(17)28-20(18)12-32)24(33)29-22-8-21(19(9-26)10-27-22)37-16(2)14-35-3/h7-8,10,12,15-16H,4-6,11,13-14H2,1-3H3,(H,27,29,33)/t15-,16+/m0/s1
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UniProtKB/SwissProt

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US Patent
n/an/a 0.200n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
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)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 [388-802]


(Homo sapiens (Human))		BDBM209342
PNG
(US9266883, 120)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4[C@@H](C)COCC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C25H29N7O5/c1-16-14-37-15-23(34)32(16)12-18-8-17-4-3-6-31(24(17)29-21(18)13-33)25(35)30-22-9-20(27-5-7-36-2)19(10-26)11-28-22/h8-9,11,13,16H,3-7,12,14-15H2,1-2H3,(H2,27,28,30,35)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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US Patent
n/an/a 0.300n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209345
PNG
(US9266883, 141)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CO)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C23H26N6O5/c1-14(2)34-19-8-20(25-10-17(19)9-24)27-23(33)29-6-4-5-15-7-16(11-28(3)21(32)13-31)18(12-30)26-22(15)29/h7-8,10,12,14,31H,4-6,11,13H2,1-3H3,(H,25,27,33)
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UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209277
PNG
(US9266883, 35)
Show SMILES O=Cc1ccc2CCCN(C(=O)Nc3cc(OCC4CCO4)c(cn3)C#N)c2n1
Show InChI InChI=1S/C20H19N5O4/c21-9-14-10-22-18(8-17(14)29-12-16-5-7-28-16)24-20(27)25-6-1-2-13-3-4-15(11-26)23-19(13)25/h3-4,8,10-11,16H,1-2,5-7,12H2,(H,22,24,27)
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 0.300n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(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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UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50586259
PNG
(CHEMBL5090067)
Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 0.390n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00696
BindingDB Entry DOI: 10.7270/Q2W66QPP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209354
PNG
(US9266883, 188)
Show SMILES CN(Cc1cc2CCCN(C(=O)Nc3cc(NCCOC(F)(F)F)c(cn3)C#N)c2nc1C=O)C(C)=O
Show InChI InChI=1S/C23H24F3N7O4/c1-14(35)32(2)12-16-8-15-4-3-6-33(21(15)30-19(16)13-34)22(36)31-20-9-18(17(10-27)11-29-20)28-5-7-37-23(24,25)26/h8-9,11,13H,3-7,12H2,1-2H3,(H2,28,29,31,36)
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n/an/a 0.400n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209348
PNG
(US9266883, 145)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H31N7O4/c1-16(2)36-21-10-22(27-12-19(21)11-26)29-25(35)32-8-6-7-17-9-18(20(15-33)28-24(17)32)13-31(5)23(34)14-30(3)4/h9-10,12,15-16H,6-8,13-14H2,1-5H3,(H,27,29,35)
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n/an/a 0.400n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
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
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
Article
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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
Fibroblast growth factor receptor 4 [388-802]


(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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MCE
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PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
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)
PDB

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UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
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
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50543142
PNG
(CHEMBL4641633)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r|
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
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n/an/a 0.430n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at TLR8 in human whole blood assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followe...

J Med Chem 63: 8276-8295 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00130
BindingDB Entry DOI: 10.7270/Q2D22269
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209341
PNG
(US9266883, 118)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4[C@H](C)COCC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C25H29N7O5/c1-16-14-37-15-23(34)32(16)12-18-8-17-4-3-6-31(24(17)29-21(18)13-33)25(35)30-22-9-20(27-5-7-36-2)19(10-26)11-28-22/h8-9,11,13,16H,3-7,12,14-15H2,1-2H3,(H2,27,28,30,35)/t16-/m1/s1
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n/an/a 0.600n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
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 [388-802]


(Homo sapiens (Human))		BDBM209361
PNG
(US9266883, 205)
Show SMILES COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-3)38-22-10-23(28-12-20(22)11-27)30-26(36)33-6-4-5-18-9-19(21(15-34)29-25(18)33)13-32-8-7-31(2)14-24(32)35/h9-10,12,15,17H,4-8,13-14,16H2,1-3H3,(H,28,30,36)/t17-/m1/s1
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n/an/a 0.600n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209368
PNG
(US9266883, 228)
Show SMILES COCCNc1cc(NC(=O)N2[C@@H](C)CCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H32N8O4/c1-17-4-5-18-10-19(14-33-8-7-32(2)15-24(33)36)22(16-35)30-25(18)34(17)26(37)31-23-11-21(28-6-9-38-3)20(12-27)13-29-23/h10-11,13,16-17H,4-9,14-15H2,1-3H3,(H2,28,29,31,37)/t17-/m0/s1
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n/an/a 0.600n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50586262
PNG
(CHEMBL5091113)
Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR8 expressed in human whole blood assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins follow...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00696
BindingDB Entry DOI: 10.7270/Q2W66QPP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50543142
PNG
(CHEMBL4641633)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r|
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at TLR7 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ss...

J Med Chem 63: 8276-8295 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00130
BindingDB Entry DOI: 10.7270/Q2D22269
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50586256
PNG
(CHEMBL5085458)
Show SMILES COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccnc(C)c1F
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n/an/a 0.670n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00696
BindingDB Entry DOI: 10.7270/Q2W66QPP
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 [388-802]


(Homo sapiens (Human))		BDBM209332
PNG
(US9266883, 92)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O4/c1-16(2)36-21-10-22(27-12-19(21)11-26)29-25(35)32-6-4-5-17-9-18(20(15-33)28-24(17)32)13-31-8-7-30(3)14-23(31)34/h9-10,12,15-16H,4-8,13-14H2,1-3H3,(H,27,29,35)
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n/an/a 0.700n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209333
PNG
(US9266883, 95)
Show SMILES CC(C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H30N8O3/c1-16(2)28-20-10-22(27-12-19(20)11-26)30-25(36)33-6-4-5-17-9-18(21(15-34)29-24(17)33)13-32-8-7-31(3)14-23(32)35/h9-10,12,15-16H,4-8,13-14H2,1-3H3,(H2,27,28,30,36)
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n/an/a 0.700n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
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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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 [388-802]


(Homo sapiens (Human))		BDBM209367
PNG
(US9266883, 227)
Show SMILES CC(C)Oc1cc(NC(=O)N2[C@@H](C)CCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O4/c1-16(2)37-22-10-23(28-12-20(22)11-27)30-26(36)33-17(3)5-6-18-9-19(21(15-34)29-25(18)33)13-32-8-7-31(4)14-24(32)35/h9-10,12,15-17H,5-8,13-14H2,1-4H3,(H,28,30,36)/t17-/m0/s1
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n/an/a 0.700n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(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/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209282
PNG
(US9266883, 40)
Show SMILES O=Cc1ccc2CCCN(C(=O)Nc3cc(OC4CCOC4)c(cn3)C#N)c2n1
Show InChI InChI=1S/C20H19N5O4/c21-9-14-10-22-18(8-17(14)29-16-5-7-28-12-16)24-20(27)25-6-1-2-13-3-4-15(11-26)23-19(13)25/h3-4,8,10-11,16H,1-2,5-7,12H2,(H,22,24,27)
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n/an/a 0.700n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
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 [388-802]


(Homo sapiens (Human))		BDBM209307
PNG
(US9266883, 65)
Show SMILES OC[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1Nc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C25H28N6O4/c26-9-18-10-27-22(8-20(18)28-23-15-4-3-14(6-15)19(23)12-33)30-25(35)31-5-1-2-16-7-17(11-32)21(13-34)29-24(16)31/h7-8,10,13-15,19,23,32-33H,1-6,11-12H2,(H2,27,28,30,35)/t14-,15+,19+,23-/m1/s1
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n/an/a 0.800n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209337
PNG
(US9266883, 105)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](O)C4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C24H27N7O5/c1-36-8-5-26-18-10-21(27-12-17(18)11-25)29-24(35)31-6-2-3-15-9-16(19(14-32)28-22(15)31)13-30-7-4-20(33)23(30)34/h9-10,12,14,20,33H,2-8,13H2,1H3,(H2,26,27,29,35)/t20-/m1/s1
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n/an/a 0.800n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209302
PNG
(US9266883, 60)
Show SMILES OCc1cc2CCCN(C(=O)Nc3cc(OCC(O)CCCl)c(cn3)C#N)c2nc1C=O
Show InChI InChI=1S/C21H22ClN5O5/c22-4-3-16(30)12-32-18-7-19(24-9-15(18)8-23)26-21(31)27-5-1-2-13-6-14(10-28)17(11-29)25-20(13)27/h6-7,9,11,16,28,30H,1-5,10,12H2,(H,24,26,31)
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n/an/a 0.800n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
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))		BDBM50559123
PNG
(CHEMBL4745780)
Show SMILES CCN(Cc1cc2CCCN(C(=O)Nc3cc(NCCOC)c(cn3)C#N)c2nc1C=O)C(C)=O
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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))		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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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
PDB

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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 [388-802]


(Homo sapiens (Human))		BDBM209335
PNG
(US9266883, 100)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](O)C4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C24H27N7O5/c1-36-8-5-26-18-10-21(27-12-17(18)11-25)29-24(35)31-6-2-3-15-9-16(19(14-32)28-22(15)31)13-30-7-4-20(33)23(30)34/h9-10,12,14,20,33H,2-8,13H2,1H3,(H2,26,27,29,35)/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
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)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 [388-802]


(Homo sapiens (Human))		BDBM209389
PNG
(US9266883, 264)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(C4CCOC4)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C23H25N5O4/c1-14(2)32-20-9-21(25-11-17(20)10-24)27-23(30)28-6-3-4-15-8-18(16-5-7-31-13-16)19(12-29)26-22(15)28/h8-9,11-12,14,16H,3-7,13H2,1-2H3,(H,25,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50586258
PNG
(CHEMBL5085289)
Show SMILES CN1CCC(CC1)Nc1n[nH]c2cc(c(C)cc12)-c1ccnc(C)c1F
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00696
BindingDB Entry DOI: 10.7270/Q2W66QPP
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
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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