Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50097693'   

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))	BDBM50097693 (CHEMBL3589598) Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay				Bioorg Med Chem 23: 3933-7 (2015) Article DOI: 10.1016/j.bmc.2014.12.011 BindingDB Entry DOI: 10.7270/Q2VX0J8W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097693 (CHEMBL3589598) Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	154	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00702 BindingDB Entry DOI: 10.7270/Q2WD44J5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097693 (CHEMBL3589598) Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00702 BindingDB Entry DOI: 10.7270/Q2WD44J5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097693 (CHEMBL3589598) Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00702 BindingDB Entry DOI: 10.7270/Q2WD44J5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097693 (CHEMBL3589598) Show SMILES COc1cc(CCNCc2cccc(O)c2)c(OC)cc1Br Show InChI InChI=1S/C17H20BrNO3/c1-21-16-10-15(18)17(22-2)9-13(16)6-7-19-11-12-4-3-5-14(20)8-12/h3-5,8-10,19-20H,6-7,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00702 BindingDB Entry DOI: 10.7270/Q2WD44J5
					More data for this Ligand-Target Pair