Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50083120'   

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))	BDBM50083120 (CHEMBL148233 | Methyl-(3-methyl-but-2-enyl)-{1-[3-...) Show SMILES CN(CC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 |(18.82,-5.86,;17.8,-4.72,;18.27,-3.25,;19.77,-2.93,;20.23,-1.45,;21.74,-1.13,;19.21,-.32,;16.29,-5.04,;15.81,-6.5,;14.32,-6.84,;13.3,-5.68,;11.79,-6.02,;11.32,-7.5,;9.82,-7.82,;9.37,-9.29,;10.29,-10.54,;9.37,-11.8,;7.89,-11.32,;6.55,-12.09,;5.23,-11.32,;5.23,-9.78,;6.55,-9.02,;7.89,-9.78,;3.89,-9.02,;3.73,-7.48,;2.22,-7.16,;1.45,-8.5,;2.5,-9.65,;13.75,-4.23,;15.26,-3.91,)| Show InChI InChI=1S/C24H34N6/c1-19(2)8-12-28(3)21-9-13-29(14-10-21)11-4-5-20-16-25-24-7-6-22(15-23(20)24)30-17-26-27-18-30/h6-8,15-18,21,25H,4-5,9-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				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))	BDBM50083120 (CHEMBL148233 | Methyl-(3-methyl-but-2-enyl)-{1-[3-...) Show SMILES CN(CC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 |(18.82,-5.86,;17.8,-4.72,;18.27,-3.25,;19.77,-2.93,;20.23,-1.45,;21.74,-1.13,;19.21,-.32,;16.29,-5.04,;15.81,-6.5,;14.32,-6.84,;13.3,-5.68,;11.79,-6.02,;11.32,-7.5,;9.82,-7.82,;9.37,-9.29,;10.29,-10.54,;9.37,-11.8,;7.89,-11.32,;6.55,-12.09,;5.23,-11.32,;5.23,-9.78,;6.55,-9.02,;7.89,-9.78,;3.89,-9.02,;3.73,-7.48,;2.22,-7.16,;1.45,-8.5,;2.5,-9.65,;13.75,-4.23,;15.26,-3.91,)| Show InChI InChI=1S/C24H34N6/c1-19(2)8-12-28(3)21-9-13-29(14-10-21)11-4-5-20-16-25-24-7-6-22(15-23(20)24)30-17-26-27-18-30/h6-8,15-18,21,25H,4-5,9-14H2,1-3H3	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	1.80	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