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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM31004'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM31004
PNG
(MLS000030962 | N-Cyclopentylcarbamoylmethyl-N-(3,4...)
Show SMILES COc1ccc(cc1OC)N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H30N6O4/c1-17-8-10-18(11-9-17)25-27-29-31(28-25)16-24(33)30(15-23(32)26-19-6-4-5-7-19)20-12-13-21(34-2)22(14-20)35-3/h8-14,19H,4-7,15-16H2,1-3H3,(H,26,32)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair