Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50441711'   

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))	BDBM50441711 (CHEMBL2435912) Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccsc1 Show InChI InChI=1S/C30H42ClN5O2S/c1-20-17-27(31)33-22(3)28(20)29(37)32-13-9-21(2)34-14-10-25(11-15-34)36-26(23-12-16-39-19-23)18-35(30(36)38)24-7-5-4-6-8-24/h12,16-17,19,21,24-26H,4-11,13-15,18H2,1-3H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	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))	BDBM50441711 (CHEMBL2435912) Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccsc1 Show InChI InChI=1S/C30H42ClN5O2S/c1-20-17-27(31)33-22(3)28(20)29(37)32-13-9-21(2)34-14-10-25(11-15-34)36-26(23-12-16-39-19-23)18-35(30(36)38)24-7-5-4-6-8-24/h12,16-17,19,21,24-26H,4-11,13-15,18H2,1-3H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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