Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C motif chemokine 5' and Ligand = 'BDBM50329251'   

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 5 (Homo sapiens (Human))	BDBM50329251 ((4,6-dimethyl pyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(m...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H39N5O3S/c1-20-27(21(2)30-19-29-20)28(34)32-17-24-15-31(16-25(24)18-32)12-11-26(22-7-5-4-6-8-22)23-9-13-33(14-10-23)37(3,35)36/h4-8,19,23-26H,9-18H2,1-3H3/t24-,25+,26?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of RANTES				Bioorg Med Chem Lett 20: 6802-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.118 BindingDB Entry DOI: 10.7270/Q29G5N1F
					More data for this Ligand-Target Pair
C-C motif chemokine 5 (Homo sapiens (Human))	BDBM50329251 ((4,6-dimethyl pyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(m...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H39N5O3S/c1-20-27(21(2)30-19-29-20)28(34)32-17-24-15-31(16-25(24)18-32)12-11-26(22-7-5-4-6-8-22)23-9-13-33(14-10-23)37(3,35)36/h4-8,19,23-26H,9-18H2,1-3H3/t24-,25+,26?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of RANTES				Bioorg Med Chem Lett 20: 6802-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.118 BindingDB Entry DOI: 10.7270/Q29G5N1F
					More data for this Ligand-Target Pair
C-C motif chemokine 5 (Homo sapiens (Human))	BDBM50329251 ((4,6-dimethyl pyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(m...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H39N5O3S/c1-20-27(21(2)30-19-29-20)28(34)32-17-24-15-31(16-25(24)18-32)12-11-26(22-7-5-4-6-8-22)23-9-13-33(14-10-23)37(3,35)36/h4-8,19,23-26H,9-18H2,1-3H3/t24-,25+,26?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of RANTES				Bioorg Med Chem Lett 20: 6802-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.118 BindingDB Entry DOI: 10.7270/Q29G5N1F
					More data for this Ligand-Target Pair