Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50441712'   

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))	BDBM50441712 (CHEMBL2435906) Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50441712 (CHEMBL2435906) Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated f...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50441712 (CHEMBL2435906) Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Displacement of [125I]-RANTES from CCR5 (unknown origin) expressed in HEK293F cell membranes after 45 mins by microbeta jet liquid scintillation coun...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair