Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50077825'   

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))	BDBM50077825 (3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-propyl]-pipe...) Show SMILES CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1cccc(F)c1 Show InChI InChI=1S/C26H30F2N6/c1-19(20-3-2-4-22(27)11-20)15-32-7-9-33(10-8-32)16-23(28)12-21-14-29-26-6-5-24(13-25(21)26)34-17-30-31-18-34/h2-6,11,13-14,17-19,23,29H,7-10,12,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50077825 (3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-propyl]-pipe...) Show SMILES CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1cccc(F)c1 Show InChI InChI=1S/C26H30F2N6/c1-19(20-3-2-4-22(27)11-20)15-32-7-9-33(10-8-32)16-23(28)12-21-14-29-26-6-5-24(13-25(21)26)34-17-30-31-18-34/h2-6,11,13-14,17-19,23,29H,7-10,12,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair