Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 16   

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 7 (Homo sapiens (Human))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University					Assay Description Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM65511 (CPZ analog, 5) Show SMILES Clc1ccc2Sc3ccccc3N(CCCCN3CCOCC3)c2c1 Show InChI InChI=1S/C20H23ClN2OS/c21-16-7-8-20-18(15-16)23(17-5-1-2-6-19(17)25-20)10-4-3-9-22-11-13-24-14-12-22/h1-2,5-8,15H,3-4,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University					Assay Description Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM65508 (CPZ analog, 2) Show SMILES OS(=O)(=O)CCCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C16H16ClNO3S2/c17-12-7-8-16-14(11-12)18(9-3-4-10-23(19,20)21)13-5-1-2-6-15(13)22-16/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Michigan State University					Assay Description Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM65514 (CPZ analog, 8) Show SMILES COC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H16ClNO2S/c1-25-21(24)15-8-6-14(7-9-15)13-23-17-4-2-3-5-19(17)26-20-11-10-16(22)12-18(20)23/h2-12H,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University					Assay Description Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM65512 (CPZ analog, 6) Show SMILES OC(=O)C#CCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C16H10ClNO2S/c17-11-7-8-15-13(10-11)18(9-3-6-16(19)20)12-4-1-2-5-14(12)21-15/h1-2,4-5,7-8,10H,9H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Michigan State University					Assay Description Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM65513 (CPZ analog, 7) Show SMILES OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C20H14ClNO2S/c21-15-9-10-19-17(11-15)22(16-3-1-2-4-18(16)25-19)12-13-5-7-14(8-6-13)20(23)24/h1-11H,12H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Michigan State University					Assay Description Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM65507 (CPZ analog, 1) Show SMILES CC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H20ClNS/c1-13(2)6-5-11-20-15-7-3-4-8-17(15)21-18-10-9-14(19)12-16(18)20/h3-4,7-10,12-13H,5-6,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University					Assay Description Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair