Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 471.5 BDBM50060438

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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 1D (Homo sapiens (Human))	BDBM50060438 (CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...) Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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 from human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060438 (CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...) Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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 to the cloned human 5-hydroxytryptamine 1D 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 1B (Homo sapiens (Human))	BDBM50060438 (CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...) Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	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 from human 5-hydroxytryptamine 1B receptor expressed in CHO cells				J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50060438 (CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...) Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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))	BDBM50060438 (CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...) Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)	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	1.80	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 human 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))	BDBM50060438 (CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...) Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1 Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)	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	1.90	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 5-hydroxytryptamine 1D receptor				J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8
					More data for this Ligand-Target Pair