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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM114604'   
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 2A


(Mus musculus (Mouse))		BDBM114604
PNG
(4-chloranyl-N-methyl-N-[4-[4-(phenylmethyl)piperaz...)
Show SMILES CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN3O3S/c1-27(33(31,32)24-13-9-22(26)10-14-24)23-11-7-21(8-12-23)25(30)29-17-15-28(16-18-29)19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3
PDB

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PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair