Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50010352   

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))	BDBM50093777 (CHEMBL81377 | N-Cyclooctyl-N-{1-[3-(4-fluoro-pheno...) Show SMILES CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1 Show InChI InChI=1S/C25H39FN2O2/c1-2-25(29)28(22-9-6-4-3-5-7-10-22)23-15-18-27(19-16-23)17-8-20-30-24-13-11-21(26)12-14-24/h11-14,22-23H,2-10,15-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals A/S Curated by ChEMBL					Assay Description Compound was evaluated for its binding against 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 10: 2435-9 (2001) BindingDB Entry DOI: 10.7270/Q2V69HTT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM86525 (AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445) Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1 Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals A/S Curated by ChEMBL					Assay Description Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 10: 2435-9 (2001) BindingDB Entry DOI: 10.7270/Q2V69HTT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50093777 (CHEMBL81377 | N-Cyclooctyl-N-{1-[3-(4-fluoro-pheno...) Show SMILES CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1 Show InChI InChI=1S/C25H39FN2O2/c1-2-25(29)28(22-9-6-4-3-5-7-10-22)23-15-18-27(19-16-23)17-8-20-30-24-13-11-21(26)12-14-24/h11-14,22-23H,2-10,15-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals A/S Curated by ChEMBL					Assay Description Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 10: 2435-9 (2001) BindingDB Entry DOI: 10.7270/Q2V69HTT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50451131 (AC-165043 | CHEMBL80093) Show SMILES CC(C)NC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1 Show InChI InChI=1S/C26H42FN3O2/c1-21(2)28-26(31)30(23-9-6-4-3-5-7-10-23)24-15-18-29(19-16-24)17-8-20-32-25-13-11-22(27)12-14-25/h11-14,21,23-24H,3-10,15-20H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals A/S Curated by ChEMBL					Assay Description Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 10: 2435-9 (2001) BindingDB Entry DOI: 10.7270/Q2V69HTT
					More data for this Ligand-Target Pair