BDBM50121826 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-3-hydroxybutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::3-Cyclopropyl-2-((S)-3-((R)-3-fluoro-phenyl)-4-{4-[3-(4-fluoro-phenyl)-3-hydroxy-butyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL20598

SMILES: CC(O)(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1

InChI Key: InChIKey=JJRGEKBCROFWOB-MDCVBHJHSA-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 = 50121826   

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))	BDBM50121826 ((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...) Show SMILES CC(O)(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H42F2N2O3/c1-32(39,26-7-9-27(33)10-8-26)14-11-22-12-15-35(16-13-22)19-25-20-36(30(31(37)38)17-23-5-6-23)21-29(25)24-3-2-4-28(34)18-24/h2-4,7-10,18,22-23,25,29-30,39H,5-6,11-17,19-21H2,1H3,(H,37,38)/t25-,29+,30+,32?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	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))	BDBM50121826 ((2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4...) Show SMILES CC(O)(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H42F2N2O3/c1-32(39,26-7-9-27(33)10-8-26)14-11-22-12-15-35(16-13-22)19-25-20-36(30(31(37)38)17-23-5-6-23)21-29(25)24-3-2-4-28(34)18-24/h2-4,7-10,18,22-23,25,29-30,39H,5-6,11-17,19-21H2,1H3,(H,37,38)/t25-,29+,30+,32?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	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