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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor coactivator 1' and Ligand = 'BDBM43104'   
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
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM43104
PNG
(2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-[3...)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)c1
Show InChI InChI=1S/C26H22BrN3O5S/c1-30(2)36(33,34)20-10-6-9-19(14-20)28-25(31)16-35-26(32)22-15-24(17-7-5-8-18(27)13-17)29-23-12-4-3-11-21(22)23/h3-15H,16H2,1-2H3,(H,28,31)
PDB
MMDB

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PC cid
PC sid
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n/an/an/an/a 1.91E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair