Found 132 hits with Last Name = 'beresford' and Initial = 'ij' 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 |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| PDB PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | UniProtKB/SwissProt
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50035179
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50035179
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PDB PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | UniProtKB/SwissProt
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| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM50035179
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) | UniProtKB/SwissProt
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM50035179
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) | UniProtKB/SwissProt
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50043289
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM85064
(CAS_5311134 | GR 196429 | NSC_5311134)Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444496
(CHEMBL3092650)Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from rat histamine H3 receptor expressed in HEK293 cells after 45 mins by liquid scintillation spectromet... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469874
(CHEMBL59780)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38-,39-,40-,41-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM85064
(CAS_5311134 | GR 196429 | NSC_5311134)Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444491
(CHEMBL3092823)Show InChI InChI=1S/C22H25N3O2/c26-22-10-13-25(22)19-5-7-21(23-15-19)27-20-6-4-16-8-11-24(18-2-1-3-18)12-9-17(16)14-20/h4-7,14-15,18H,1-3,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | UniProtKB/SwissProt
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | UniProtKB/SwissProt
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM85064
(CAS_5311134 | GR 196429 | NSC_5311134)Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17) | UniProtKB/SwissProt
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| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444496
(CHEMBL3092650)Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| 0.363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50035179
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM50043289
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17) | UniProtKB/SwissProt
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| PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444500
(CHEMBL3092834)Show SMILES Cc1nnc(o1)-c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C22H24N4O2/c1-15-24-25-22(27-15)18-6-8-21(23-14-18)28-20-7-5-16-9-11-26(19-3-2-4-19)12-10-17(16)13-20/h5-8,13-14,19H,2-4,9-12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM82509
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM85064
(CAS_5311134 | GR 196429 | NSC_5311134)Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444509
(CHEMBL3092840)Show SMILES O=C(N1CCCC1)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C24H29N3O2/c28-24(27-12-1-2-13-27)20-7-9-23(25-17-20)29-22-8-6-18-10-14-26(21-4-3-5-21)15-11-19(18)16-22/h6-9,16-17,21H,1-5,10-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444505
(CHEMBL3092828)Show InChI InChI=1S/C21H24N2O2/c1-15(24)21-8-7-20(14-22-21)25-19-6-5-16-9-11-23(18-3-2-4-18)12-10-17(16)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444507
(CHEMBL3092826)Show SMILES CC(C)NC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H29N3O2/c1-16(2)25-23(27)19-7-9-22(24-15-19)28-21-8-6-17-10-12-26(20-4-3-5-20)13-11-18(17)14-21/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50043289
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50247054
(6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.676 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from rat histamine H3 receptor expressed in HEK293 cells after 45 mins by liquid scintillation spectromet... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1A
(GUINEA PIG) | BDBM50043289
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444489
(CHEMBL3092825)Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCCC2)nc1 Show InChI InChI=1S/C24H29N3O2/c28-24-6-3-13-27(24)21-8-10-23(25-17-21)29-22-9-7-18-11-14-26(15-12-19(18)16-22)20-4-1-2-5-20/h7-10,16-17,20H,1-6,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444495
(CHEMBL3092651)Show SMILES O=C1OCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C22H25N3O3/c26-22-25(12-13-27-22)19-5-7-21(23-15-19)28-20-6-4-16-8-10-24(18-2-1-3-18)11-9-17(16)14-20/h4-7,14-15,18H,1-3,8-13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50346209
(5-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 0.832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470598
(CHEMBL126050)Show SMILES Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 Show InChI InChI=1S/C25H28FN3O2/c1-18-2-4-19(5-3-18)16-29-17-25(31-24(29)30)9-12-28(13-10-25)11-8-20-15-27-23-7-6-21(26)14-22(20)23/h2-7,14-15,27H,8-13,16-17H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description Binding affinity against tachykinin receptor 2 from rat colon. |
J Med Chem 38: 3772-9 (1995)
Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444506
(CHEMBL3092827)Show InChI InChI=1S/C21H25N3O2/c1-15(25)23-18-6-8-21(22-14-18)26-20-7-5-16-9-11-24(19-3-2-4-19)12-10-17(16)13-20/h5-8,13-14,19H,2-4,9-12H2,1H3,(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444494
(CHEMBL3092820)Show SMILES CN1CCN(C1=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H28N4O2/c1-25-13-14-27(23(25)28)20-6-8-22(24-16-20)29-21-7-5-17-9-11-26(19-3-2-4-19)12-10-18(17)15-21/h5-8,15-16,19H,2-4,9-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50346209
(5-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from rat histamine H3 receptor expressed in HEK293 cells after 45 mins by liquid scintillation spectromet... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470604
(CHEMBL338825)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)N4)CC3)c2c1 Show InChI InChI=1S/C24H27FN4O/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-28-12-9-24(10-13-28)17-29(23(30)27-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2,(H,27,30) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description Binding affinity against tachykinin receptor 2 from rat colon. |
J Med Chem 38: 3772-9 (1995)
Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470590
(CHEMBL341357)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)C4)CC3)c2c1 Show InChI InChI=1S/C25H28FN3O/c26-21-6-7-23-22(14-21)20(16-27-23)8-11-28-12-9-25(10-13-28)15-24(30)29(18-25)17-19-4-2-1-3-5-19/h1-7,14,16,27H,8-13,15,17-18H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description Binding affinity against tachykinin receptor 2 from rat colon. |
J Med Chem 38: 3772-9 (1995)
Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470591
(CHEMBL124208)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description Binding affinity against tachykinin receptor 2 from rat colon. |
J Med Chem 38: 3772-9 (1995)
Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469872
(CHEMBL413650)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C56H65N13O11/c1-3-4-20-40(49(58)70)61-54(75)45-22-13-26-67(45)56(77)46-23-14-27-68(46)55(76)43(28-33-15-7-5-8-16-33)64-53(74)41(29-35-31-59-39-21-12-11-19-36(35)39)62-50(71)32(2)60-52(73)42(63-51(72)34-17-9-6-10-18-34)30-38(57)37-24-25-44(69(78)79)48-47(37)65-80-66-48/h5-12,15-19,21,24-25,31-32,38,40-43,45-46,59H,3-4,13-14,20,22-23,26-30,57H2,1-2H3,(H2,58,70)(H,60,73)(H,61,75)(H,62,71)(H,63,72)(H,64,74)/t32-,38?,40-,41-,42-,43-,45-,46-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469869
(CHEMBL217548)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C57H67N13O11/c1-3-4-20-41(50(59)71)62-55(76)46-22-13-28-68(46)57(78)47-23-14-29-69(47)56(77)44(30-34-15-7-5-8-16-34)65-54(75)43(31-36-32-60-40-21-12-11-19-37(36)40)64-51(72)33(2)61-53(74)42(63-52(73)35-17-9-6-10-18-35)26-25-39(58)38-24-27-45(70(79)80)49-48(38)66-81-67-49/h5-12,15-19,21,24,27,32-33,39,41-44,46-47,60H,3-4,13-14,20,22-23,25-26,28-31,58H2,1-2H3,(H2,59,71)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)/t33-,39?,41-,42-,43-,44-,46-,47-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469867
(CHEMBL268783)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C58H69N13O11/c1-3-4-22-42(51(60)72)63-56(77)47-25-14-29-69(47)58(79)48-26-15-30-70(48)57(78)45(31-35-16-7-5-8-17-35)66-55(76)44(32-37-33-61-41-23-12-11-20-38(37)41)65-52(73)34(2)62-54(75)43(64-53(74)36-18-9-6-10-19-36)24-13-21-40(59)39-27-28-46(71(80)81)50-49(39)67-82-68-50/h5-12,16-20,23,27-28,33-34,40,42-45,47-48,61H,3-4,13-15,21-22,24-26,29-32,59H2,1-2H3,(H2,60,72)(H,62,75)(H,63,77)(H,64,74)(H,65,73)(H,66,76)/t34-,40?,42-,43-,44-,45-,47-,48-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470596
(CHEMBL125310)Show SMILES CC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C25H30FN3O2/c1-19(30)29(17-20-5-3-2-4-6-20)18-25(31)10-13-28(14-11-25)12-9-21-16-27-24-8-7-22(26)15-23(21)24/h2-8,15-16,27,31H,9-14,17-18H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description Binding affinity against tachykinin receptor 2 from rat colon. |
J Med Chem 38: 3772-9 (1995)
Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF |
More data for this Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50470583
(CHEMBL125696)Show SMILES Fc1cccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c1 Show InChI InChI=1S/C24H25F2N3O2/c25-19-3-1-2-17(12-19)15-29-16-24(31-23(29)30)7-10-28(11-8-24)9-6-18-14-27-22-5-4-20(26)13-21(18)22/h1-5,12-14,27H,6-11,15-16H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description Binding affinity against tachykinin receptor 2 from rat colon. |
J Med Chem 38: 3772-9 (1995)
Article DOI: 10.1021/jm00019a006 BindingDB Entry DOI: 10.7270/Q2JM2DCF |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50444493
(CHEMBL3092821)Show SMILES O[C@H]1CN(C(=O)C1)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 |r| Show InChI InChI=1S/C23H27N3O3/c27-20-13-23(28)26(15-20)19-5-7-22(24-14-19)29-21-6-4-16-8-10-25(18-2-1-3-18)11-9-17(16)12-21/h4-7,12,14,18,20,27H,1-3,8-11,13,15H2/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio... |
Bioorg Med Chem Lett 23: 6890-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83 |
More data for this Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM82509
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development, Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 285: 1239-45 (1998)
BindingDB Entry DOI: 10.7270/Q2PK0DPM |
More data for this Ligand-Target Pair | |