Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 996.2 BDBM50446233

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50446233 (CHEMBL3109174) Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCn1cc(COCCOCCOCCOCCOCc2ccc(cc2)C(=O)N2CCC2=O)nn1)c1ccccc1 |r,TLB:17:16:9.10.15:12.13| Show InChI InChI=1S/C55H81N9O8/c1-42(2)54-59-57-43(3)64(54)50-37-48-22-23-49(38-50)62(48)27-24-51(45-15-11-10-12-16-45)56-52(65)17-13-8-6-4-5-7-9-14-26-61-39-47(58-60-61)41-72-36-34-70-32-30-68-29-31-69-33-35-71-40-44-18-20-46(21-19-44)55(67)63-28-25-53(63)66/h10-12,15-16,18-21,39,42,48-51H,4-9,13-14,17,22-38,40-41H2,1-3H3,(H,56,65)/t48?,49?,50?,51-/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	27	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 JR-FL-induced cell-cell fusion between viral envelope...				ACS Med Chem Lett 5: 133-137 (2014) Article DOI: 10.1021/ml400370w BindingDB Entry DOI: 10.7270/Q2RB762X
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