BDBM50254719 (4-(7-butyl-9-(1-methyl-1H-imidazol-4-ylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL450639

SMILES: CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1cn(C)cn1

InChI Key: InChIKey=RNRDLRIAZBSTGX-UHFFFAOYSA-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 = 50254719   

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))	BDBM50254719 ((4-(7-butyl-9-(1-methyl-1H-imidazol-4-ylsulfonyl)-...) Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C30H47N7O3S/c1-6-7-8-25-19-37(41(39,40)26-20-34(5)22-33-26)18-13-30(25)11-16-36(17-12-30)29(4)9-14-35(15-10-29)28(38)27-23(2)31-21-32-24(27)3/h20-22,25H,6-19H2,1-5H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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
					More data for this Ligand-Target Pair