Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.0 BDBM50105530

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))	BDBM50105530 (1-[(3S,4S)-1-Benzyl-4-(2-chloro-phenyl)-pyrrolidin...) Show SMILES Clc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C29H33ClN2/c30-29-14-8-7-13-27(29)28-22-32(19-23-9-3-1-4-10-23)21-26(28)20-31-17-15-25(16-18-31)24-11-5-2-6-12-24/h1-14,25-26,28H,15-22H2/t26-,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	>1.00E+3	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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