Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50038547   

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))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells				J Nat Prod 60: 651-3 (1997) Article DOI: 10.1021/np960644d BindingDB Entry DOI: 10.7270/Q2ZC83R7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50246936 ((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...) Show SMILES CC(C)NC[C@H](O)COc1cccc2ccccc12 |r| Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells				J Nat Prod 60: 651-3 (1997) Article DOI: 10.1021/np960644d BindingDB Entry DOI: 10.7270/Q2ZC83R7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50194429 ((-)-parthenolide | (1aR,7aS,10aS,10bS,Z)-1a,5-dime...) Show SMILES C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,t:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells				J Nat Prod 60: 651-3 (1997) Article DOI: 10.1021/np960644d BindingDB Entry DOI: 10.7270/Q2ZC83R7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50194429 ((-)-parthenolide | (1aR,7aS,10aS,10bS,Z)-1a,5-dime...) Show SMILES C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,t:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain membrane				J Nat Prod 60: 651-3 (1997) Article DOI: 10.1021/np960644d BindingDB Entry DOI: 10.7270/Q2ZC83R7
					More data for this Ligand-Target Pair