Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM163721'   

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))	BDBM163721 (3-Cyclohexyl-5-{4-[4-(2,3-dichlorophenyl)piperazin...) Show SMILES Clc1cccc(N2CCN(CCCCC3NC(=NNC3=O)C3CCCCC3)CC2)c1Cl |c:16| Show InChI InChI=1S/C23H33Cl2N5O/c24-18-9-6-11-20(21(18)25)30-15-13-29(14-16-30)12-5-4-10-19-23(31)28-27-22(26-19)17-7-2-1-3-8-17/h6,9,11,17,19H,1-5,7-8,10,12-16H2,(H,26,27)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	-42.8	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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