Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.6 BDBM50318434

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))	BDBM50318434 (CHEMBL1095517 | N-((S)-3-((3aR,6aS)-5-(4,6-dimethy...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C28H37N5O2/c1-19-26(20(2)30-18-29-19)28(35)33-16-23-14-32(15-24(23)17-33)13-12-25(21-8-4-3-5-9-21)31-27(34)22-10-6-7-11-22/h3-5,8-9,18,22-25H,6-7,10-17H2,1-2H3,(H,31,34)/t23-,24+,25-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay				Bioorg Med Chem Lett 20: 3116-9 (2010) Article DOI: 10.1016/j.bmcl.2010.03.095 BindingDB Entry DOI: 10.7270/Q27S7PQ2
					More data for this Ligand-Target Pair