BDBM50104944 (2-Hydroxy-6-methyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2-Hydroxy-6-methyl-phenyl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL111998

SMILES: C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=MUZZKZIHYIHBGE-SFTDATJTSA-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 = 50104944   

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))	BDBM50104944 ((2-Hydroxy-6-methyl-phenyl)-(4-methyl-4-{(S)-3-met...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O2/c1-19-6-5-7-24(35)25(19)26(36)32-14-12-27(4,13-15-32)33-16-17-34(20(2)18-33)21(3)22-8-10-23(11-9-22)28(29,30)31/h5-11,20-21,35H,12-18H2,1-4H3/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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))	BDBM50104944 ((2-Hydroxy-6-methyl-phenyl)-(4-methyl-4-{(S)-3-met...) Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O2/c1-19-6-5-7-24(35)25(19)26(36)32-14-12-27(4,13-15-32)33-16-17-34(20(2)18-33)21(3)22-8-10-23(11-9-22)28(29,30)31/h5-11,20-21,35H,12-18H2,1-4H3/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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