Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 622.8 BDBM50321712

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))	BDBM50321712 (CHEMBL1172625 | N-allyl-N-(1-(((3S,4R)-1-(cyclopen...) Show SMILES CNS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 |r| Show InChI InChI=1S/C34H46N4O5S/c1-3-19-38(32(39)22-26-13-15-31(16-14-26)44(42,43)35-2)30-17-20-36(21-18-30)23-29-24-37(33(40)27-9-7-8-10-27)25-34(29,41)28-11-5-4-6-12-28/h3-6,11-16,27,29-30,35,41H,1,7-10,17-25H2,2H3/t29-,34-/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 4012-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.102 BindingDB Entry DOI: 10.7270/Q2H132Z4
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