Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50011657   

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 1A (Homo sapiens (Human))	BDBM50109061 (3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12 |c:5| Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50109058 (1H-4-indolyl 2-[4-(1H-3-indolyl)-1,2,3,6-tetrahydr...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:5| Show InChI InChI=1S/C23H23N3O/c1-2-5-21-18(4-1)20(16-25-21)17-9-12-26(13-10-17)14-15-27-23-7-3-6-22-19(23)8-11-24-22/h1-9,11,16,24-25H,10,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50109056 (5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12 |c:5| Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50109055 (3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12 |c:5| Show InChI InChI=1S/C23H24N2O3/c1-2-5-20-18(4-1)19(16-24-20)17-8-10-25(11-9-17)12-13-26-21-6-3-7-22-23(21)28-15-14-27-22/h1-8,16,24H,9-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50109059 (3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...) Show SMILES Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1 Show InChI InChI=1S/C23H25FN2O3/c24-17-4-5-18-19(15-25-20(18)14-17)16-6-8-26(9-7-16)10-11-27-21-2-1-3-22-23(21)29-13-12-28-22/h1-5,14-16,25H,6-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair