BDBM50104954 (2,6-Dimethyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,6-Dimethyl-phenyl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL115487

SMILES: C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=HMVJROBJYQFKLV-GOTSBHOMSA-N

Data: 2 KI

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 2 hits for monomerid = 50104954   

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))	BDBM50104954 ((2,6-Dimethyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H38F3N3O/c1-20-7-6-8-21(2)26(20)27(36)33-15-13-28(5,14-16-33)34-17-18-35(22(3)19-34)23(4)24-9-11-25(12-10-24)29(30,31)32/h6-12,22-23H,13-19H2,1-5H3/t22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)				J Med Chem 46: 4501-15 (2003) Article DOI: 10.1021/jm030265z BindingDB Entry DOI: 10.7270/Q2SB46GG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50104954 ((2,6-Dimethyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H38F3N3O/c1-20-7-6-8-21(2)26(20)27(36)33-15-13-28(5,14-16-33)34-17-18-35(22(3)19-34)23(4)24-9-11-25(12-10-24)29(30,31)32/h6-12,22-23H,13-19H2,1-5H3/t22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards C-C chemokine receptor type 5				J Med Chem 44: 3343-6 (2001) BindingDB Entry DOI: 10.7270/Q23X85X2
					More data for this Ligand-Target Pair