Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50030986   

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))	BDBM50304802 ((S)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...) Show SMILES Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r| Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells				Bioorg Med Chem Lett 20: 266-71 (2010) Article DOI: 10.1016/j.bmcl.2009.10.112 BindingDB Entry DOI: 10.7270/Q2154H5M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50304805 ((S)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...) Show SMILES Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r| Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells				Bioorg Med Chem Lett 20: 266-71 (2010) Article DOI: 10.1016/j.bmcl.2009.10.112 BindingDB Entry DOI: 10.7270/Q2154H5M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50304803 ((R)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...) Show SMILES Clc1ccccc1O[C@@H]1CCCc2ccc(nc12)N1CCNCC1 |r| Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells				Bioorg Med Chem Lett 20: 266-71 (2010) Article DOI: 10.1016/j.bmcl.2009.10.112 BindingDB Entry DOI: 10.7270/Q2154H5M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50304804 (7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro...) Show SMILES Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1 Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells				Bioorg Med Chem Lett 20: 266-71 (2010) Article DOI: 10.1016/j.bmcl.2009.10.112 BindingDB Entry DOI: 10.7270/Q2154H5M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50304807 ((S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methyl...) Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r| Show InChI InChI=1S/C21H26FN3O/c1-14-3-6-18(22)11-17(14)13-26-19-7-4-16-5-8-20(24-21(16)19)25-10-9-23-12-15(25)2/h3,5-6,8,11,15,19,23H,4,7,9-10,12-13H2,1-2H3/t15-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells				Bioorg Med Chem Lett 20: 266-71 (2010) Article DOI: 10.1016/j.bmcl.2009.10.112 BindingDB Entry DOI: 10.7270/Q2154H5M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50304800 ((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...) Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r| Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells				Bioorg Med Chem Lett 20: 266-71 (2010) Article DOI: 10.1016/j.bmcl.2009.10.112 BindingDB Entry DOI: 10.7270/Q2154H5M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50304801 ((S)-7-(2,5-difluorobenzyloxy)-2-((R)-2-methylpiper...) Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3F)c2n1 |r| Show InChI InChI=1S/C20H23F2N3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(21)4-5-17(15)22/h3-5,7,10,13,18,23H,2,6,8-9,11-12H2,1H3/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells				Bioorg Med Chem Lett 20: 266-71 (2010) Article DOI: 10.1016/j.bmcl.2009.10.112 BindingDB Entry DOI: 10.7270/Q2154H5M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50304820 (2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinoline | C...) Show SMILES C1CCc2nc(ccc2C1)N1CCNCC1 Show InChI InChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h5-6,14H,1-4,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells				Bioorg Med Chem Lett 20: 266-71 (2010) Article DOI: 10.1016/j.bmcl.2009.10.112 BindingDB Entry DOI: 10.7270/Q2154H5M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50304806 ((R)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...) Show SMILES Clc1ccccc1O[C@@H]1CCc2ccc(nc12)N1CCNCC1 |r| Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells				Bioorg Med Chem Lett 20: 266-71 (2010) Article DOI: 10.1016/j.bmcl.2009.10.112 BindingDB Entry DOI: 10.7270/Q2154H5M
					More data for this Ligand-Target Pair