Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 678.8 BDBM50142019

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))	BDBM50142019 (CHEMBL173479 | Cyclohexyl-[3-{4-[2-ethyl-5-(4-phen...) Show SMILES CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 Show InChI InChI=1S/C42H51FN4O3/c1-2-47-40(26-36(44-47)24-30-16-18-38(19-17-30)50-37-14-7-4-8-15-37)31-20-22-45(23-21-31)27-34-28-46(29-39(34)33-12-9-13-35(43)25-33)41(42(48)49)32-10-5-3-6-11-32/h4,7-9,12-19,25-26,31-32,34,39,41H,2-3,5-6,10-11,20-24,27-29H2,1H3,(H,48,49)/t34-,39+,41+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
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