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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM31019'   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31019
PNG
(MLS000093991 | N-[2-[4-(2,3-dimethylphenyl)-1-pipe...)
Show SMILES CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc3occc3n12
Show InChI InChI=1S/C27H34N6O3/c1-5-25-29-33(27(35)23-17-24-22(32(23)25)9-16-36-24)20(4)26(34)28-10-11-30-12-14-31(15-13-30)21-8-6-7-18(2)19(21)3/h6-9,16-17,20H,5,10-15H2,1-4H3,(H,28,34)
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Similars

PCBioAssay
n/an/an/an/a 2.32E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair