Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50074162'   

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))	BDBM50074162 ((S)-4-[3-(2-{(S)-3-[(Benzyl-methyl-amino)-methyl]-...) Show SMILES CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4C)cc23)C1)Cc1ccccc1 Show InChI InChI=1S/C28H36N4O2/c1-30(17-21-6-4-3-5-7-21)18-23-10-12-32(19-23)13-11-24-16-29-27-9-8-22(15-26(24)27)14-25-20-34-28(33)31(25)2/h3-9,15-16,23,25,29H,10-14,17-20H2,1-2H3/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	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 1D (Homo sapiens (Human))	BDBM50074162 ((S)-4-[3-(2-{(S)-3-[(Benzyl-methyl-amino)-methyl]-...) Show SMILES CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4C)cc23)C1)Cc1ccccc1 Show InChI InChI=1S/C28H36N4O2/c1-30(17-21-6-4-3-5-7-21)18-23-10-12-32(19-23)13-11-24-16-29-27-9-8-22(15-26(24)27)14-25-20-34-28(33)31(25)2/h3-9,15-16,23,25,29H,10-14,17-20H2,1-2H3/t23-,25-/m0/s1	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	3.20	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