Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50190524'   

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))	BDBM50190524 (3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...) Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190524 (3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...) Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization				Bioorg Med Chem 18: 5208-23 (2010) Article DOI: 10.1016/j.bmc.2010.05.057 BindingDB Entry DOI: 10.7270/Q25H7H7B
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190524 (3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-pro...) Show SMILES CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair