Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50036167   

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 (Rattus norvegicus (rat))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...				J Med Chem 36: 3161-5 (1993) BindingDB Entry DOI: 10.7270/Q2JQ11N4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50041469 ((R,S) 7-[(3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetr...) Show SMILES CCCN(C\C=C\I)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...				J Med Chem 36: 3161-5 (1993) BindingDB Entry DOI: 10.7270/Q2JQ11N4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50041951 ((R,S) 7-(3-Iodo-allylamino)-5,6,7,8-tetrahydro-nap...) Show SMILES Oc1cccc2CCC(Cc12)NC\C=C\I Show InChI InChI=1S/C13H16INO/c14-7-2-8-15-11-6-5-10-3-1-4-13(16)12(10)9-11/h1-4,7,11,15-16H,5-6,8-9H2/b7-2+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...				J Med Chem 36: 3161-5 (1993) BindingDB Entry DOI: 10.7270/Q2JQ11N4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50041952 ((R,S) (3-Iodo-allyl)-(8-methoxy-1,2,3,4-tetrahydro...) Show SMILES CCCN(C\C=C\I)C1CCc2cccc(OC)c2C1 Show InChI InChI=1S/C17H24INO/c1-3-11-19(12-5-10-18)15-9-8-14-6-4-7-17(20-2)16(14)13-15/h4-7,10,15H,3,8-9,11-13H2,1-2H3/b10-5+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...				J Med Chem 36: 3161-5 (1993) BindingDB Entry DOI: 10.7270/Q2JQ11N4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50041953 ((R,S) (3-Iodo-allyl)-(8-methoxy-1,2,3,4-tetrahydro...) Show SMILES COc1cccc2CCC(Cc12)NC\C=C\I Show InChI InChI=1S/C14H18INO/c1-17-14-5-2-4-11-6-7-12(10-13(11)14)16-9-3-8-15/h2-5,8,12,16H,6-7,9-10H2,1H3/b8-3+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat br...				J Med Chem 36: 3161-5 (1993) BindingDB Entry DOI: 10.7270/Q2JQ11N4
					More data for this Ligand-Target Pair