Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C motif chemokine 3' and Ligand = 'BDBM77001'   

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
C-C motif chemokine 3 (Homo sapiens (Human))	BDBM77001 (3-(4-((4-(morpholinomethyl)benzyl)-oxy)-1-oxoisoin...) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)C1CCC(=O)NC1=O Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
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