Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50080891'   

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))	BDBM50080891 (3-{(2R,3aR,6aR)-5-[2-(3-Fluoro-phenyl)-ethyl]-1-me...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(CCc3cccc(F)c3)C[C@H]12 Show InChI InChI=1S/C26H29FN6/c1-31-23(10-19-13-28-25-6-5-22(12-24(19)25)33-16-29-30-17-33)11-20-14-32(15-26(20)31)8-7-18-3-2-4-21(27)9-18/h2-6,9,12-13,16-17,20,23,26,28H,7-8,10-11,14-15H2,1H3/t20-,23+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080891 (3-{(2R,3aR,6aR)-5-[2-(3-Fluoro-phenyl)-ethyl]-1-me...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(CCc3cccc(F)c3)C[C@H]12 Show InChI InChI=1S/C26H29FN6/c1-31-23(10-19-13-28-25-6-5-22(12-24(19)25)33-16-29-30-17-33)11-20-14-32(15-26(20)31)8-7-18-3-2-4-21(27)9-18/h2-6,9,12-13,16-17,20,23,26,28H,7-8,10-11,14-15H2,1H3/t20-,23+,26+/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	1.90	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair