Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50207156'   

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 2A (Homo sapiens (Human))	BDBM50207156 (CHEMBL3938210 | US9550741, I-3) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1 |r,wU:3.2,wD:6.6,(22.96,-24.14,;22.24,-22.76,;23.01,-21.42,;24.55,-21.42,;25.32,-20.09,;26.86,-20.09,;27.63,-21.42,;29.17,-21.42,;29.94,-20.09,;31.48,-20.09,;32.25,-21.42,;33.79,-21.42,;34.56,-20.09,;33.79,-18.75,;32.25,-18.75,;36.1,-20.09,;37.02,-21.32,;38.46,-20.86,;38.46,-19.32,;39.65,-18.3,;39.29,-16.8,;37.85,-16.29,;36.72,-17.32,;37.02,-18.86,;26.86,-22.76,;25.32,-22.76,;20.7,-22.66,;19.88,-21.38,;18.39,-21.79,;18.29,-23.33,;19.73,-23.89,)| Show InChI InChI=1S/C24H31N5OS/c30-24(21-5-3-12-25-21)26-19-9-7-18(8-10-19)11-13-28-14-16-29(17-15-28)23-20-4-1-2-6-22(20)31-27-23/h1-6,12,18-19,25H,7-11,13-17H2,(H,26,30)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50207156 (CHEMBL3938210 | US9550741, I-3) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1 |r,wU:3.2,wD:6.6,(22.96,-24.14,;22.24,-22.76,;23.01,-21.42,;24.55,-21.42,;25.32,-20.09,;26.86,-20.09,;27.63,-21.42,;29.17,-21.42,;29.94,-20.09,;31.48,-20.09,;32.25,-21.42,;33.79,-21.42,;34.56,-20.09,;33.79,-18.75,;32.25,-18.75,;36.1,-20.09,;37.02,-21.32,;38.46,-20.86,;38.46,-19.32,;39.65,-18.3,;39.29,-16.8,;37.85,-16.29,;36.72,-17.32,;37.02,-18.86,;26.86,-22.76,;25.32,-22.76,;20.7,-22.66,;19.88,-21.38,;18.39,-21.79,;18.29,-23.33,;19.73,-23.89,)| Show InChI InChI=1S/C24H31N5OS/c30-24(21-5-3-12-25-21)26-19-9-7-18(8-10-19)11-13-28-14-16-29(17-15-28)23-20-4-1-2-6-22(20)31-27-23/h1-6,12,18-19,25H,7-11,13-17H2,(H,26,30)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.290	n/a	n/a	n/a	n/a	n/a	n/a	7.7	n/a
Shanghai Institute of Pharmaceutical Industry US Patent					Assay Description 1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...				US Patent US9550741 (2017) BindingDB Entry DOI: 10.7270/Q2DN4726
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50207156 (CHEMBL3938210 | US9550741, I-3) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1 |r,wU:3.2,wD:6.6,(22.96,-24.14,;22.24,-22.76,;23.01,-21.42,;24.55,-21.42,;25.32,-20.09,;26.86,-20.09,;27.63,-21.42,;29.17,-21.42,;29.94,-20.09,;31.48,-20.09,;32.25,-21.42,;33.79,-21.42,;34.56,-20.09,;33.79,-18.75,;32.25,-18.75,;36.1,-20.09,;37.02,-21.32,;38.46,-20.86,;38.46,-19.32,;39.65,-18.3,;39.29,-16.8,;37.85,-16.29,;36.72,-17.32,;37.02,-18.86,;26.86,-22.76,;25.32,-22.76,;20.7,-22.66,;19.88,-21.38,;18.39,-21.79,;18.29,-23.33,;19.73,-23.89,)| Show InChI InChI=1S/C24H31N5OS/c30-24(21-5-3-12-25-21)26-19-9-7-18(8-10-19)11-13-28-14-16-29(17-15-28)23-20-4-1-2-6-22(20)31-27-23/h1-6,12,18-19,25H,7-11,13-17H2,(H,26,30)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.290	n/a	n/a	n/a	n/a	n/a	n/a	7.7	n/a
Shanghai Institute of Pharmaceutical Industry US Patent					Assay Description 1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...				US Patent US9550741 (2017) BindingDB Entry DOI: 10.7270/Q2DN4726
					More data for this Ligand-Target Pair