Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50339636'   

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 5 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL4-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50339636 (1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...) Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Telik, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL3-induced chemotaxis after 2 hrs trans-well migration assay				J Med Chem 54: 1667-81 (2011) Article DOI: 10.1021/jm1012903 BindingDB Entry DOI: 10.7270/Q28K79DQ
					More data for this Ligand-Target Pair