Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50068824'   

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))	BDBM50068824 (5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCC#N)CC1)c1ccccc1 |c:14,t:17| Show InChI InChI=1S/C34H39N5O7/c1-23-28(30(25-11-13-27(14-12-25)39(43)44)29(24(2)37-23)32(41)46-22-7-17-35)31(40)36-18-8-19-38-20-15-34(16-21-38,33(42)45-3)26-9-5-4-6-10-26/h4-6,9-14,29-30H,7-8,15-16,18-22H2,1-3H3,(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity was determined for the alpha-1D adrenergic receptor				J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS
					More data for this Ligand-Target Pair