Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 14 entry = 50036265   

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))	BDBM50034364 ((3aR,9bR)-3-Allyl-6-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-12-5-4-6-16(18-2)14(12)7-8-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50039770 (CHEMBL328431 | Trifluoro-methanesulfonic acid 5-((...) Show SMILES CCCN1CCC[C@H](C1)c1ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c1 Show InChI InChI=1S/C16H19F6NO6S2/c1-2-7-23-8-3-4-12(10-23)11-5-6-13(28-30(24,25)15(17,18)19)14(9-11)29-31(26,27)16(20,21)22/h5-6,9,12H,2-4,7-8,10H2,1H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50039779 (CHEMBL328448 | Trifluoro-methanesulfonic acid 4-((...) Show SMILES CCCN1CCC[C@H](C1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C15H20F3NO3S/c1-2-9-19-10-3-4-13(11-19)12-5-7-14(8-6-12)22-23(20,21)15(16,17)18/h5-8,13H,2-4,9-11H2,1H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
					More data for this Ligand-Target Pair