Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.6 BDBM50110091

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))	BDBM50110091 (4'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-pe...) Show SMILES C([C@H]1CN2OC3(C[C@H]2[C@@H]1c1ccccc1)CCCCC3)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-4-10-23(11-5-1)24-14-18-30(19-15-24)21-26-22-31-27(28(26)25-12-6-2-7-13-25)20-29(32-31)16-8-3-9-17-29/h1-2,4-7,10-13,24,26-28H,3,8-9,14-22H2/t26-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranes				Bioorg Med Chem Lett 12: 677-9 (2002) BindingDB Entry DOI: 10.7270/Q2DF6QHH
					More data for this Ligand-Target Pair