BDBM50121828 (R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[3-(4-trifluoromethyl-phenyl)-propyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-(trifluoromethyl)phenyl)propyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL21147

SMILES: OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(cc3)C(F)(F)F)CC2)[C@H](C1)c1cccc(F)c1

InChI Key: InChIKey=UPFGSIPNBKPQPB-LXLYTFERSA-N

Data: 2 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 2 hits for monomerid = 50121828   

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))	BDBM50121828 ((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...) Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(cc3)C(F)(F)F)CC2)[C@H](C1)c1cccc(F)c1 |r| Show InChI InChI=1S/C33H42F4N2O2/c34-29-9-3-8-26(19-29)30-22-39(31(32(40)41)18-25-6-2-7-25)21-27(30)20-38-16-14-24(15-17-38)5-1-4-23-10-12-28(13-11-23)33(35,36)37/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,40,41)/t27-,30+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells				Eur J Med Chem 43: 2724-34 (2008) Article DOI: 10.1016/j.ejmech.2008.01.040 BindingDB Entry DOI: 10.7270/Q2G44Q3W
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50121828 ((R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[...) Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(cc3)C(F)(F)F)CC2)[C@H](C1)c1cccc(F)c1 |r| Show InChI InChI=1S/C33H42F4N2O2/c34-29-9-3-8-26(19-29)30-22-39(31(32(40)41)18-25-6-2-7-25)21-27(30)20-38-16-14-24(15-17-38)5-1-4-23-10-12-28(13-11-23)33(35,36)37/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,40,41)/t27-,30+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 13: 119-23 (2002) BindingDB Entry DOI: 10.7270/Q2CN7382
					More data for this Ligand-Target Pair