Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 598.7 BDBM50141864

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))	BDBM50141864 (CHEMBL174283 | {3-[4-(5-Benzyl-2-carboxymethyl-2H-...) Show SMILES OC(=O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 Show InChI InChI=1S/C36H46N4O4/c41-34(42)25-40-33(21-31(37-40)20-26-10-4-1-5-11-26)28-16-18-38(19-17-28)22-30-23-39(24-32(30)27-12-6-2-7-13-27)35(36(43)44)29-14-8-3-9-15-29/h1-2,4-7,10-13,21,28-30,32,35H,3,8-9,14-20,22-25H2,(H,41,42)(H,43,44)/t30-,32+,35+/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	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human CC chemokine receptor 5				Bioorg Med Chem Lett 14: 935-9 (2004) Article DOI: 10.1016/j.bmcl.2003.12.004 BindingDB Entry DOI: 10.7270/Q2PK0FKP
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