Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50290912'   

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 1B (Homo sapiens (Human))	BDBM50290912 (4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for 5-hydroxytryptamine 1B receptor subtype				Bioorg Med Chem Lett 7: 3183-3188 (1997) Article DOI: 10.1016/S0960-894X(97)10164-0 BindingDB Entry DOI: 10.7270/Q23R0SW9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50290912 (4-(2,4-Dimethyl-phenyl)-piperazine-1-carboxylic ac...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C25H35N5O2/c1-19-5-7-22(20(2)17-19)28-13-15-30(16-14-28)25(31)26-21-6-8-24(32-4)23(18-21)29-11-9-27(3)10-12-29/h5-8,17-18H,9-16H2,1-4H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; full agonist				Bioorg Med Chem Lett 7: 3183-3188 (1997) Article DOI: 10.1016/S0960-894X(97)10164-0 BindingDB Entry DOI: 10.7270/Q23R0SW9
					More data for this Ligand-Target Pair