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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 5' and Ligand = 'BDBM50468434'   
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
Fatty acid-binding protein 5


(Homo sapiens (Human))		BDBM50468434
PNG
(CHEMBL4294220)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1c(Cl)cccc1Cl)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1c(Cl)cccc1Cl |r,wU:4.33,5.16,18.19,wD:3.2,6.7,23.26,(12.32,-38.97,;10.83,-38.57,;10.44,-37.08,;9.75,-39.66,;8.21,-39.66,;8.21,-41.2,;9.75,-41.2,;10.83,-42.29,;12.31,-41.89,;12.71,-40.4,;13.4,-42.97,;13.01,-44.47,;11.52,-44.86,;10.43,-43.78,;8.94,-44.17,;7.12,-42.29,;5.63,-41.89,;7.52,-43.78,;6.43,-44.86,;4.94,-44.46,;3.85,-45.55,;4.25,-47.04,;5.75,-47.42,;6.83,-46.34,;8.32,-46.74,;8.71,-48.22,;10.2,-48.61,;11.29,-47.52,;10.88,-46.03,;9.39,-45.64,;7.12,-38.57,;5.64,-38.98,;5.25,-40.47,;4.55,-37.9,;4.94,-36.4,;6.43,-36,;7.52,-37.09,;9.01,-36.69,)|
Show InChI InChI=1S/C30H26Cl4O4/c31-18-11-6-12-19(32)23(18)25-27(29(35)36)26(24-20(33)13-7-14-21(24)34)28(25)30(37)38-22-15-5-4-10-17(22)16-8-2-1-3-9-16/h1-3,6-9,11-14,17,22,25-28H,4-5,10,15H2,(H,35,36)/t17-,22+,25-,26-,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.23E+3n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of DAUDA from recombinant human N-terminal His-tagged FABP5 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay

Eur J Med Chem 154: 233-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.050
BindingDB Entry DOI: 10.7270/Q2ZK5KC1
More data for this
Ligand-Target Pair