Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.0 BDBM50105525

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))	BDBM50105525 (1-[(3S,4S)-1-Benzyl-4-(3-chloro-phenyl)-pyrrolidin...) Show SMILES Clc1cccc(c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C29H33ClN2/c30-28-13-7-12-26(18-28)29-22-32(19-23-8-3-1-4-9-23)21-27(29)20-31-16-14-25(15-17-31)24-10-5-2-6-11-24/h1-13,18,25,27,29H,14-17,19-22H2/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	810	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
					More data for this Ligand-Target Pair