Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50026063   

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))	BDBM50260540 (CHEMBL495212 | Naphthalene-2-sulfonic acid {3-[4-(...) Show SMILES Clc1ccc(cc1Cl)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C23H25Cl2N3O2S/c24-22-9-7-20(17-23(22)25)28-14-12-27(13-15-28)11-3-10-26-31(29,30)21-8-6-18-4-1-2-5-19(18)16-21/h1-2,4-9,16-17,26H,3,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane				Bioorg Med Chem 16: 5405-12 (2008) Article DOI: 10.1016/j.bmc.2008.04.023 BindingDB Entry DOI: 10.7270/Q2RX9BVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50261027 (4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C20H26FN3O3S/c1-27-19-7-9-20(10-8-19)28(25,26)22-11-2-12-23-13-15-24(16-14-23)18-5-3-17(21)4-6-18/h3-10,22H,2,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane				Bioorg Med Chem 16: 5405-12 (2008) Article DOI: 10.1016/j.bmc.2008.04.023 BindingDB Entry DOI: 10.7270/Q2RX9BVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50261126 (CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...) Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane				Bioorg Med Chem 16: 5405-12 (2008) Article DOI: 10.1016/j.bmc.2008.04.023 BindingDB Entry DOI: 10.7270/Q2RX9BVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50261124 (CHEMBL495678 | Naphthalene-2-sulfonic acid {3-[4-(...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-3-8-22(18-21)30-15-13-29(14-16-30)12-4-11-28-33(31,32)23-10-9-19-5-1-2-6-20(19)17-23/h1-3,5-10,17-18,28H,4,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane				Bioorg Med Chem 16: 5405-12 (2008) Article DOI: 10.1016/j.bmc.2008.04.023 BindingDB Entry DOI: 10.7270/Q2RX9BVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50260981 (4-Methoxy-N-{3-[4-(m-trifluoromethylphenyl)-pipera...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H26F3N3O3S/c1-30-19-6-8-20(9-7-19)31(28,29)25-10-3-11-26-12-14-27(15-13-26)18-5-2-4-17(16-18)21(22,23)24/h2,4-9,16,25H,3,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	352	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane				Bioorg Med Chem 16: 5405-12 (2008) Article DOI: 10.1016/j.bmc.2008.04.023 BindingDB Entry DOI: 10.7270/Q2RX9BVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50260644 (4-Methoxy-N-{3-[4-(m-trifluoromethylphenyl)-pipera...) Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H28F3N3O3S/c1-17(26-32(29,30)21-8-6-20(31-2)7-9-21)10-11-27-12-14-28(15-13-27)19-5-3-4-18(16-19)22(23,24)25/h3-9,16-17,26H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane				Bioorg Med Chem 16: 5405-12 (2008) Article DOI: 10.1016/j.bmc.2008.04.023 BindingDB Entry DOI: 10.7270/Q2RX9BVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50154705 (4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...) Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane				Bioorg Med Chem 16: 5405-12 (2008) Article DOI: 10.1016/j.bmc.2008.04.023 BindingDB Entry DOI: 10.7270/Q2RX9BVH
					More data for this Ligand-Target Pair