Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 610.8 BDBM50322286

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))	BDBM50322286 (CHEMBL1170876 | N-[4-(4-{[(3S)-1-Butyl-3-(cyclohex...) Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1 |r| Show InChI InChI=1S/C33H46N4O5S/c1-3-4-20-37-31(38)30(23-25-8-6-5-7-9-25)34-32(39)33(37)18-21-36(22-19-33)24-26-10-14-28(15-11-26)42-29-16-12-27(13-17-29)35-43(2,40)41/h10-17,25,30,35H,3-9,18-24H2,1-2H3,(H,34,39)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization				Bioorg Med Chem 18: 5208-23 (2010) Article DOI: 10.1016/j.bmc.2010.05.057 BindingDB Entry DOI: 10.7270/Q25H7H7B
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