Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 492.5 BDBM50105508

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))	BDBM50105508 (CHEMBL93625 | [(3S,4S)-3-Phenyl-4-(4-phenyl-piperi...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C30H31F3N2O/c31-30(32,33)28-14-8-7-13-26(28)29(36)35-20-25(27(21-35)24-11-5-2-6-12-24)19-34-17-15-23(16-18-34)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration, binding towards C-C chemokine receptor type 5 using [125I]-MIP-1 alpha as radioligand expressed on CHO cells				Bioorg Med Chem Lett 11: 2741-5 (2001) BindingDB Entry DOI: 10.7270/Q2F47NFC
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