Found 44 hits with Last Name = 'gough' and Initial = 'wh' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50130461
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26) | PDB
Reactome pathway
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| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50130461
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26) | PDB
Reactome pathway
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MCE
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PC sid
UniChem
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| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137539
(2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-fur...)Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3c(F)cc(F)cc3F)nc12 Show InChI InChI=1S/C20H18F3N3O2/c1-26-6-4-11(5-7-26)13-10-28-16-2-3-17(24-19(13)16)25-20(27)18-14(22)8-12(21)9-15(18)23/h2-3,8-11H,4-7H2,1H3,(H,24,25,27) | PDB
Reactome pathway
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PC sid
UniChem
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137540
(2-Chloro-6-fluoro-N-[3-(1-methyl-piperidin-4-yl)-f...)Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3c(F)cccc3Cl)nc12 Show InChI InChI=1S/C20H19ClFN3O2/c1-25-9-7-12(8-10-25)13-11-27-16-5-6-17(23-19(13)16)24-20(26)18-14(21)3-2-4-15(18)22/h2-6,11-12H,7-10H2,1H3,(H,23,24,26) | PDB
Reactome pathway
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PC sid
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137538
(2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-f...)Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3ccc(F)cc3Cl)nc12 Show InChI InChI=1S/C20H19ClFN3O2/c1-25-8-6-12(7-9-25)15-11-27-17-4-5-18(23-19(15)17)24-20(26)14-3-2-13(22)10-16(14)21/h2-5,10-12H,6-9H2,1H3,(H,23,24,26) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137541
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b...)Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3ccc(F)cc3)nc12 Show InChI InChI=1S/C20H20FN3O2/c1-24-10-8-13(9-11-24)16-12-26-17-6-7-18(22-19(16)17)23-20(25)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,23,25) | PDB
Reactome pathway
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PC sid
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-1) cells expressing the human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586388
(CHEMBL5081557)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccccc5Cl)CC4)c3s2)cc1 | PDB
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| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119543
(CHEMBL3617549)Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H21FN2O2/c1-23-11-9-14(10-12-23)19(24)16-3-2-4-18(13-16)22-20(25)15-5-7-17(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25) | PDB
Reactome pathway
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM498074
((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r| Show InChI InChI=1S/C29H33F3N4O4S2/c1-4-42(38,39)23-7-5-20(6-8-23)15-33-26(37)24-14-21-13-18(2)40-28(25(21)41-24)9-11-36(12-10-28)19(3)22-16-34-27(35-17-22)29(30,31)32/h5-8,14,16-19H,4,9-13,15H2,1-3H3,(H,33,37)/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50130443
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo...)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12 Show InChI InChI=1S/C20H21FN4O/c1-25-10-8-13(9-11-25)16-12-22-17-6-7-18(23-19(16)17)24-20(26)14-2-4-15(21)5-3-14/h2-7,12-13,22H,8-11H2,1H3,(H,23,24,26) | PDB
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| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137542
(CHEMBL178066 | N-[3-(2-Dimethylamino-ethyl)-2-meth...)Show SMILES CN(C)CCc1c(C)[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C20H22FN3O/c1-13-17(10-11-24(2)3)18-12-16(8-9-19(18)22-13)23-20(25)14-4-6-15(21)7-5-14/h4-9,12,22H,10-11H2,1-3H3,(H,23,25) | PDB
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119542
(CHEMBL3617550)Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1F Show InChI InChI=1S/C20H20F2N2O2/c1-24-11-9-13(10-12-24)19(25)16-3-2-4-17(18(16)22)23-20(26)14-5-7-15(21)8-6-14/h2-8,13H,9-12H2,1H3,(H,23,26) | PDB
Reactome pathway
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| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119532
(CHEMBL3617557)Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)n1 Show InChI InChI=1S/C19H20FN3O2/c1-23-11-9-13(10-12-23)18(24)16-3-2-4-17(21-16)22-19(25)14-5-7-15(20)8-6-14/h2-8,13H,9-12H2,1H3,(H,21,22,25) | PDB
Reactome pathway
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PC sid
UniChem
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137537
(CHEMBL369391 | N-[3-(2-Dimethylamino-ethyl)-2-meth...)Show InChI InChI=1S/C19H20FN3O2/c1-12-15(10-11-23(2)3)18-16(25-12)8-9-17(21-18)22-19(24)13-4-6-14(20)7-5-13/h4-9H,10-11H2,1-3H3,(H,21,22,24) | PDB
Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586395
(CHEMBL5069696)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C(F)(F)F)c3s2)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586396
(CHEMBL5079705)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r| | PDB
UniProtKB/SwissProt
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586394
(CHEMBL5078351)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM302860
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r| Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1 | PDB
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| Article
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50130461
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26) | PDB
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MCE
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| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1A receptor (unknown origin) |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586389
(CHEMBL5093568)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(Cl)cc5Cl)CC4)c3s2)cc1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119540
(CHEMBL3617552)Show SMILES CN1CCC(CC1)C(=O)c1cc(F)cc(NC(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H20F2N2O2/c1-24-8-6-13(7-9-24)19(25)15-10-17(22)12-18(11-15)23-20(26)14-2-4-16(21)5-3-14/h2-5,10-13H,6-9H2,1H3,(H,23,26) | PDB
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| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586393
(CHEMBL5077159)Show SMILES C[C@@H](N1CCC2(CC1)OCCc1cc(sc21)C(=O)NCc1ccc(cc1)S(C)(=O)=O)c1ccc(cc1)C#N |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586397
(CHEMBL5092218)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C#N)c3s2)nc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586391
(CHEMBL5085419)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(cc5)C(F)(F)F)CC4)c3s2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 249 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586390
(CHEMBL5081257)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(Cl)cc5)CC4)c3s2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 249 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586392
(CHEMBL5082586)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(cc5)C#N)CC4)c3s2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 278 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119539
(CHEMBL3617553)Show SMILES CN1CCC(CC1)C(=O)c1ccc(F)c(NC(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H20F2N2O2/c1-24-10-8-13(9-11-24)19(25)15-4-7-17(22)18(12-15)23-20(26)14-2-5-16(21)6-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119535
(CHEMBL3616488)Show SMILES COc1c(NC(=O)c2ccc(F)cc2)cccc1C(=O)C1CCN(C)CC1 Show InChI InChI=1S/C21H23FN2O3/c1-24-12-10-14(11-13-24)19(25)17-4-3-5-18(20(17)27-2)23-21(26)15-6-8-16(22)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119537
(CHEMBL3617555)Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1C Show InChI InChI=1S/C21H23FN2O2/c1-14-18(20(25)15-10-12-24(2)13-11-15)4-3-5-19(14)23-21(26)16-6-8-17(22)9-7-16/h3-9,15H,10-13H2,1-2H3,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119533
(CHEMBL3617556)Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1O Show InChI InChI=1S/C20H21FN2O3/c1-23-11-9-13(10-12-23)18(24)16-3-2-4-17(19(16)25)22-20(26)14-5-7-15(21)8-6-14/h2-8,13,25H,9-12H2,1H3,(H,22,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119541
(CHEMBL3617551)Show SMILES CN1CCC(CC1)C(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1F Show InChI InChI=1S/C20H20F2N2O2/c1-24-10-8-13(9-11-24)19(25)17-12-16(6-7-18(17)22)23-20(26)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119538
(CHEMBL3617554)Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1Cl Show InChI InChI=1S/C20H20ClFN2O2/c1-24-11-9-13(10-12-24)19(25)16-3-2-4-17(18(16)21)23-20(26)14-5-7-15(22)8-6-14/h2-8,13H,9-12H2,1H3,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119530
(CHEMBL3617560)Show SMILES CN1CCC(CC1)C(=O)c1ccnc(NC(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C19H20FN3O2/c1-23-10-7-13(8-11-23)18(24)15-6-9-21-17(12-15)22-19(25)14-2-4-16(20)5-3-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119531
(CHEMBL3617559)Show SMILES CN1CCC(CC1)C(=O)c1cncc(NC(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C19H20FN3O2/c1-23-8-6-13(7-9-23)18(24)15-10-17(12-21-11-15)22-19(25)14-2-4-16(20)5-3-14/h2-5,10-13H,6-9H2,1H3,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT1F receptor by radioligand binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586398
(CHEMBL4226176) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM302860
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r| Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| >1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to RORalpha (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM302860
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r| Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to RORbeta (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119543
(CHEMBL3617549)Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H21FN2O2/c1-23-11-9-14(10-12-23)19(24)16-3-2-4-18(13-16)22-20(25)15-5-7-17(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT1F receptor expressed in LM(tk-) cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119542
(CHEMBL3617550)Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1F Show InChI InChI=1S/C20H20F2N2O2/c1-24-11-9-13(10-12-24)19(25)16-3-2-4-17(18(16)22)23-20(26)14-5-7-15(21)8-6-14/h2-8,13H,9-12H2,1H3,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT1F receptor expressed in LM(tk-) cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50119532
(CHEMBL3617557)Show SMILES CN1CCC(CC1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)n1 Show InChI InChI=1S/C19H20FN3O2/c1-23-11-9-13(10-12-23)18(24)16-3-2-4-17(21-16)22-19(25)14-5-7-15(20)8-6-14/h2-8,13H,9-12H2,1H3,(H,21,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human 5HT1F receptor expressed in LM(tk-) cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 25: 4337-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.042
BindingDB Entry DOI: 10.7270/Q2NC630T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137538
(2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-f...)Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3ccc(F)cc3Cl)nc12 Show InChI InChI=1S/C20H19ClFN3O2/c1-25-8-6-12(7-9-25)15-11-27-17-4-5-18(23-19(15)17)24-20(26)14-3-2-13(22)10-16(14)21/h2-5,10-12H,6-9H2,1H3,(H,23,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 277 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity of the compound for human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137541
(4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b...)Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3ccc(F)cc3)nc12 Show InChI InChI=1S/C20H20FN3O2/c1-24-10-8-13(9-11-24)16-12-26-17-6-7-18(22-19(16)17)23-20(25)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 66 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-1) cells expressing the human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137539
(2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-fur...)Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3c(F)cc(F)cc3F)nc12 Show InChI InChI=1S/C20H18F3N3O2/c1-26-6-4-11(5-7-26)13-10-28-16-2-3-17(24-19(13)16)25-20(27)18-14(22)8-12(21)9-15(18)23/h2-3,8-11H,4-7H2,1H3,(H,24,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 92 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-1) cells expressing the human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50137540
(2-Chloro-6-fluoro-N-[3-(1-methyl-piperidin-4-yl)-f...)Show SMILES CN1CCC(CC1)c1coc2ccc(NC(=O)c3c(F)cccc3Cl)nc12 Show InChI InChI=1S/C20H19ClFN3O2/c1-25-9-7-12(8-10-25)13-11-27-16-5-6-17(23-19(13)16)24-20(26)18-14(21)3-2-4-15(18)22/h2-6,11-12H,7-10H2,1H3,(H,23,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 69 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-1) cells expressing the human 5-hydroxytryptamine 1F receptor |
Bioorg Med Chem Lett 14: 167-70 (2003)
BindingDB Entry DOI: 10.7270/Q2S46RCF |
More data for this
Ligand-Target Pair | |
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