Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50086861'   

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))	BDBM50086861 (3-Methylsulfanyl-N-((S)-1-phenethyl-pyrrolidin-2-y...) Show SMILES CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1 Show InChI InChI=1S/C21H26N2OS/c1-25-20-11-5-9-18(15-20)21(24)22-16-19-10-6-13-23(19)14-12-17-7-3-2-4-8-17/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,22,24)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50086861 (3-Methylsulfanyl-N-((S)-1-phenethyl-pyrrolidin-2-y...) Show SMILES CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1 Show InChI InChI=1S/C21H26N2OS/c1-25-20-11-5-9-18(15-20)21(24)22-16-19-10-6-13-23(19)14-12-17-7-3-2-4-8-17/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,22,24)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 509-12 (2000) BindingDB Entry DOI: 10.7270/Q24Q7T7T
					More data for this Ligand-Target Pair