BDBM50249490 (R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclopropylpropanoic acid::CHEMBL520091

SMILES: OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1

InChI Key: InChIKey=BYTINRYNDVFJIV-ZGIBFIJWSA-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 = 50249490   

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))	BDBM50249490 ((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperid...) Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C32H39N3O2S/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/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	0.230	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