Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hepatitis A virus cellular receptor 2' and Ligand = 'BDBM50579443'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579443 (CHEMBL4848599) Show SMILES Cc1cnccc1-c1cc2c3nc(CNC(=O)c4ccc(c(c4)C(O)=O)-c4c5ccc(O)cc5oc5cc(=O)ccc45)nn3c(=O)[nH]c2cc1Cl |(25.53,-48.68,;24.2,-49.46,;22.87,-48.69,;21.53,-49.46,;21.54,-51,;22.87,-51.77,;24.2,-51,;25.53,-51.77,;26.86,-51,;28.19,-51.76,;29.53,-50.98,;29.75,-49.49,;31.23,-49.24,;31.92,-47.86,;31.07,-46.58,;31.75,-45.19,;33.29,-45.1,;30.9,-43.91,;29.37,-44.01,;28.52,-42.73,;29.2,-41.34,;30.74,-41.25,;31.59,-42.53,;31.43,-39.87,;32.93,-40.21,;31.42,-38.33,;28.35,-40.07,;26.81,-40.17,;26.13,-41.54,;24.6,-41.64,;23.74,-40.35,;22.2,-40.45,;24.43,-38.98,;25.97,-38.89,;26.65,-37.5,;28.19,-37.41,;28.87,-36.04,;30.4,-35.96,;31.09,-34.58,;31.24,-37.23,;30.55,-38.6,;29.03,-38.69,;31.93,-50.57,;30.88,-51.65,;30.88,-53.32,;32.22,-54.1,;29.53,-54.09,;28.19,-53.32,;26.86,-54.09,;25.52,-53.31,;24.19,-54.08,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
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