BDBM50160682 CHEMBL180274::N-Methyl-N-{(S)-2-methyl-4-[1-(4-nitro-benzyl)-2-oxo-octahydro-[1,6]naphthyridin-6-yl]-2-phenyl-butyl}-benzenesulfonamide

SMILES: CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=IEDCJTYQQDVHAW-QOKKUKAESA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160682   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50160682 (CHEMBL180274 | N-Methyl-N-{(S)-2-methyl-4-[1-(4-ni...) Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H40N4O5S/c1-33(28-9-5-3-6-10-28,25-34(2)43(41,42)30-11-7-4-8-12-30)20-22-35-21-19-31-27(24-35)15-18-32(38)36(31)23-26-13-16-29(17-14-26)37(39)40/h3-14,16-17,27,31H,15,18-25H2,1-2H3/t27?,31?,33-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand				Bioorg Med Chem Lett 15: 977-82 (2005) Article DOI: 10.1016/j.bmcl.2004.12.044 BindingDB Entry DOI: 10.7270/Q2G44PSF
					More data for this Ligand-Target Pair