Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM113726'   

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 chemokine receptor type 1 (Homo sapiens (Human))	BDBM113726 (US8633226, 850) Show SMILES CC(C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H34ClN3O3/c1-14(2)18(25-20(28)24-15(3)4)19(27)26-12-11-22(29,21(5,6)13-26)16-7-9-17(23)10-8-16/h7-10,14-15,18,29H,11-13H2,1-6H3,(H2,24,25,28)/t18-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...				US Patent US8633226 (2014) BindingDB Entry DOI: 10.7270/Q22J69HG
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