Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50077817'   

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))	BDBM50077817 (3-{2,2-Difluoro-3-[4-(2-phenyl-propyl)-piperazin-1...) Show SMILES CC(CN1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1 Show InChI InChI=1S/C26H30F2N6/c1-20(21-5-3-2-4-6-21)16-32-9-11-33(12-10-32)17-26(27,28)14-22-15-29-25-8-7-23(13-24(22)25)34-18-30-31-19-34/h2-8,13,15,18-20,29H,9-12,14,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	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))	BDBM50077817 (3-{2,2-Difluoro-3-[4-(2-phenyl-propyl)-piperazin-1...) Show SMILES CC(CN1CCN(CC(F)(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1 Show InChI InChI=1S/C26H30F2N6/c1-20(21-5-3-2-4-6-21)16-32-9-11-33(12-10-32)17-26(27,28)14-22-15-29-25-8-7-23(13-24(22)25)34-18-30-31-19-34/h2-8,13,15,18-20,29H,9-12,14,16-17H2,1H3	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	16	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