Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50083114'   

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))	BDBM50083114 (((R)-1-Methyl-2-phenyl-ethyl)-{1-[3-(5-[1,2,4]tria...) Show SMILES C[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C27H34N6/c1-21(16-22-6-3-2-4-7-22)31-24-11-14-32(15-12-24)13-5-8-23-18-28-27-10-9-25(17-26(23)27)33-19-29-30-20-33/h2-4,6-7,9-10,17-21,24,28,31H,5,8,11-16H2,1H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 1D receptor stably expressed in CHO cells by [3H]-5-HT displacement.				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50083114 (((R)-1-Methyl-2-phenyl-ethyl)-{1-[3-(5-[1,2,4]tria...) Show SMILES C[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C27H34N6/c1-21(16-22-6-3-2-4-7-22)31-24-11-14-32(15-12-24)13-5-8-23-18-28-27-10-9-25(17-26(23)27)33-19-29-30-20-33/h2-4,6-7,9-10,17-21,24,28,31H,5,8,11-16H2,1H3/t21-/m1/s1	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	6.80	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair