BDBM50339034 (4,6-dimethylpyrimidin-5-yl)(4-((S)-4-((1S,2S)-2-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL1688244

SMILES: C[C@H]1CN(CCN1[C@@H]1[C@@H](O)Cc2cc(ccc12)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C

InChI Key: InChIKey=YUVBUIGMINTUIE-XPEQFSOGSA-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 = 50339034   

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))	BDBM50339034 ((4,6-dimethylpyrimidin-5-yl)(4-((S)-4-((1S,2S)-2-h...) Show SMILES C[C@H]1CN(CCN1[C@@H]1[C@@H](O)Cc2cc(ccc12)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C28H36F3N5O2/c1-17-15-35(27(4)7-9-34(10-8-27)26(38)24-18(2)32-16-33-19(24)3)11-12-36(17)25-22-6-5-21(28(29,30)31)13-20(22)14-23(25)37/h5-6,13,16-17,23,25,37H,7-12,14-15H2,1-4H3/t17-,23-,25-/m0/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 in IL-10-stimulated human monocytes				ACS Med Chem Lett 1: 483-487 (2010) Article DOI: 10.1021/ml1001536 BindingDB Entry DOI: 10.7270/Q2SQ90PC
					More data for this Ligand-Target Pair