BDBM50254675 (4-(7-butyl-9-(phenylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL448610

SMILES: CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=JWEYWQITSUWJQD-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 = 50254675   

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))	BDBM50254675 ((4-(7-butyl-9-(phenylsulfonyl)-3,9-diazaspiro[5.5]...) Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H47N5O3S/c1-5-6-10-27-23-37(41(39,40)28-11-8-7-9-12-28)22-17-32(27)15-20-36(21-16-32)31(4)13-18-35(19-14-31)30(38)29-25(2)33-24-34-26(29)3/h7-9,11-12,24,27H,5-6,10,13-23H2,1-4H3	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	19	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