Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM636197'   

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
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM636197 (US20230365541, Compound 42, isomer 1) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N1CC2CN(C)CC2C1 |r,wU:26.28,wD:29.35,(-9.14,-19.26,;-9.14,-17.72,;-10.48,-16.95,;-11.81,-17.72,;-13.15,-16.95,;-14.48,-17.72,;-13.15,-15.41,;-11.81,-14.64,;-11.81,-13.1,;-10.48,-15.41,;-9.14,-14.64,;-7.81,-15.41,;-6.48,-14.64,;-6.48,-13.1,;-5.14,-15.41,;-5.14,-16.95,;-3.81,-17.72,;-3.81,-19.26,;-2.48,-16.95,;-1.01,-17.43,;-.11,-16.18,;.98,-17.27,;-1.01,-14.94,;-2.48,-15.41,;-3.81,-14.64,;-3.81,-13.1,;1.23,-15.41,;1.23,-13.87,;2.56,-13.1,;3.89,-13.87,;3.89,-15.41,;2.56,-16.18,;5.23,-13.1,;6.64,-13.73,;7.67,-12.59,;9.17,-12.27,;9.33,-10.73,;10.67,-9.96,;7.93,-10.11,;6.9,-11.25,;5.39,-11.57,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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