BDBM50060425 Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine::CHEMBL420965::L-760790
SMILES: C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
InChI Key: InChIKey=JCFDYNJSFCXYRT-FQEVSTJZSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.930 | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor. | J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor | Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement. | J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Affinity of compound towards 5-hydroxytryptamine 1A receptor was evaluated using radioligand binding technique | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells. | J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor | J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding from human 5-hydroxytryptamine 1D receptor expressed in CHO cells | J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Affinity of compound towards 5-hydroxytryptamine 1A receptor was evaluated using radioligand binding technique | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Affinity of compound towards 5-hydroxytryptamine 1D receptor was evaluated using radioligand binding technique | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Affinity of compound towards 5-hydroxytryptamine 1B receptor was evaluated using radioligand binding technique | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor | J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells) | Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]-5-HT binding displacement. | J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J | |||||||||||
More data for this Ligand-Target Pair |