Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50176268'   

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 2C (Homo sapiens (Human))	BDBM50176268 ((2-methyl-benzyl)-((S)-1-methyl-2-pyrrolo[2,3-f]qu...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C Show InChI InChI=1S/C22H23N3/c1-16-6-3-4-7-19(16)14-24-17(2)15-25-13-11-18-9-10-21-20(22(18)25)8-5-12-23-21/h3-13,17,24H,14-15H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT2C				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50176268 ((2-methyl-benzyl)-((S)-1-methyl-2-pyrrolo[2,3-f]qu...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C Show InChI InChI=1S/C22H23N3/c1-16-6-3-4-7-19(16)14-24-17(2)15-25-13-11-18-9-10-21-20(22(18)25)8-5-12-23-21/h3-13,17,24H,14-15H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	219	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Binding to human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair