Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50083113'   

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))	BDBM50083113 (CHEMBL147660 | N-{4-[(Methyl-{1-[3-(5-[1,2,4]triaz...) Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C29H37N7O/c1-22(37)33-26-7-5-23(6-8-26)18-34(2)19-24-11-14-35(15-12-24)13-3-4-25-17-30-29-10-9-27(16-28(25)29)36-20-31-32-21-36/h5-10,16-17,20-21,24,30H,3-4,11-15,18-19H2,1-2H3,(H,33,37)	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 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))	BDBM50083113 (CHEMBL147660 | N-{4-[(Methyl-{1-[3-(5-[1,2,4]triaz...) Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C29H37N7O/c1-22(37)33-26-7-5-23(6-8-26)18-34(2)19-24-11-14-35(15-12-24)13-3-4-25-17-30-29-10-9-27(16-28(25)29)36-20-31-32-21-36/h5-10,16-17,20-21,24,30H,3-4,11-15,18-19H2,1-2H3,(H,33,37)	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	2.80	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