Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM194781'   

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 (Rattus norvegicus (rat))	BDBM194781 (US9206167, 2 | USRE48059, Compound of Example 2) Show SMILES O=c1[nH]c2ccccc2cc1OCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H23N3O2S/c27-23-21(16-17-4-1-2-5-19(17)24-23)28-14-13-25-9-11-26(12-10-25)20-6-3-7-22-18(20)8-15-29-22/h1-8,15-16H,9-14H2,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co., Ltd. US Patent					Assay Description 5-HT2A: The binding assay was performed using 40 μl of the membrane specimen, 20 μl of [3H]-Ketanserin (final concentration 1 to 3 nM), 20 ...				US Patent USRE48059 (2020) BindingDB Entry DOI: 10.7270/Q2833W3C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM194781 (US9206167, 2 | USRE48059, Compound of Example 2) Show SMILES O=c1[nH]c2ccccc2cc1OCCN1CCN(CC1)c1cccc2sccc12 Show InChI InChI=1S/C23H23N3O2S/c27-23-21(16-17-4-1-2-5-19(17)24-23)28-14-13-25-9-11-26(12-10-25)20-6-3-7-22-18(20)8-15-29-22/h1-8,15-16H,9-14H2,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	-52.4	n/a	n/a	n/a	n/a	n/a	7.4	37
OTSUKA PHARMACEUTICAL CO., LTD. US Patent					Assay Description The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...				US Patent US9206167 (2015) BindingDB Entry DOI: 10.7270/Q2XD10GS
					More data for this Ligand-Target Pair