Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 547.7 BDBM50254757

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))	BDBM50254757 ((4-(9-(cyclopropylsulfonyl)-7-propoxy-3,9-diazaspi...) Show SMILES CCCOC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C28H45N5O4S/c1-5-18-37-24-19-33(38(35,36)23-6-7-23)17-12-28(24)10-15-32(16-11-28)27(4)8-13-31(14-9-27)26(34)25-21(2)29-20-30-22(25)3/h20,23-24H,5-19H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay				Bioorg Med Chem Lett 19: 209-13 (2008) Article DOI: 10.1016/j.bmcl.2008.10.115 BindingDB Entry DOI: 10.7270/Q2FQ9WGB
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