Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 7' and Ligand = 'BDBM50463599'   

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 7 (Homo sapiens (Human))	BDBM50463599 (CHEMBL4245355) Show SMILES NC(=O)c1ccc(cn1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(45.22,-7.98,;43.89,-8.75,;43.89,-10.29,;42.55,-7.98,;41.22,-8.75,;39.88,-7.98,;39.89,-6.44,;41.22,-5.67,;42.55,-6.44,;38.56,-5.67,;37.22,-6.44,;35.89,-5.66,;35.91,-4.12,;37.23,-3.36,;38.56,-4.12,;34.57,-3.35,;33.79,-2.01,;35.33,-2.01,;33.24,-4.12,;33.23,-5.66,;31.9,-6.42,;30.57,-5.65,;30.56,-4.11,;31.9,-3.35,;29.24,-6.42,;27.91,-5.65,;27.9,-4.1,;26.56,-3.34,;25.24,-4.11,;25.23,-5.65,;26.57,-6.42,;23.9,-3.34,;22.57,-4.11,;23.12,-2,;24.66,-2,)| Show InChI InChI=1S/C24H23F3N4O3S/c25-24(26,27)17-4-12-22(30-14-17)31-18-5-9-20(10-6-18)35(33,34)19-7-1-15(2-8-19)16-3-11-21(23(28)32)29-13-16/h1-4,7-8,11-14,18,20H,5-6,9-10H2,(H2,28,32)(H,30,31)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubate...				Bioorg Med Chem Lett 28: 3067-3072 (2018) Article DOI: 10.1016/j.bmcl.2018.07.042 BindingDB Entry DOI: 10.7270/Q2DF6TWP
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