Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM163718'   

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))	BDBM163718 (3-(2-Chlorophenyl)-5-{4-[4-(2-fluorophenyl)piperaz...) Show SMILES Fc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2Cl)CC1 |c:18| Show InChI InChI=1S/C23H27ClFN5O/c24-18-8-2-1-7-17(18)22-26-20(23(31)28-27-22)10-5-6-12-29-13-15-30(16-14-29)21-11-4-3-9-19(21)25/h1-4,7-9,11,20H,5-6,10,12-16H2,(H,26,27)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	-42.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description All assays were incubated in a total volume of 200 mL in 96-well microtiter plates for 1 h at 37 °C, except for 5-HT1ARs which were incubated at room...				Chem Biol Drug Des 86: 697-703 (2015) Article DOI: 10.1111/cbdd.12539 BindingDB Entry DOI: 10.7270/Q2DR2T86
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