Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.7 BDBM50119322

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))	BDBM50119322 (1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmeth...) Show SMILES OC1(CCCc2ccncc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 Show InChI InChI=1S/C31H45N3O/c35-31(15-7-10-26-13-18-32-19-14-26)16-20-33(21-17-31)23-29-24-34(22-27-8-3-1-4-9-27)25-30(29)28-11-5-2-6-12-28/h2,5-6,11-14,18-19,27,29-30,35H,1,3-4,7-10,15-17,20-25H2/t29-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranes.				Bioorg Med Chem Lett 12: 2997-3000 (2002) BindingDB Entry DOI: 10.7270/Q2RB73ZB
					More data for this Ligand-Target Pair