Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50089980'   

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))	BDBM50089980 (CHEMBL3581249) Show SMILES [H][C@@]12Cc3cc(OC(C)CC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r| Show InChI InChI=1S/C24H31NO4/c1-7-14(2)29-20-12-16-10-18-22-15(8-9-25(18)3)11-21(27-5)24(28-6)23(22)17(16)13-19(20)26-4/h11-14,18H,7-10H2,1-6H3/t14?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	377	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00365 BindingDB Entry DOI: 10.7270/Q2GX4GN3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50089980 (CHEMBL3581249) Show SMILES [H][C@@]12Cc3cc(OC(C)CC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r| Show InChI InChI=1S/C24H31NO4/c1-7-14(2)29-20-12-16-10-18-22-15(8-9-25(18)3)11-21(27-5)24(28-6)23(22)17(16)13-19(20)26-4/h11-14,18H,7-10H2,1-6H3/t14?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	377	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay				J Nat Prod 78: 722-9 (2015) Article DOI: 10.1021/np500893h BindingDB Entry DOI: 10.7270/Q23B61WB
					More data for this Ligand-Target Pair