BDBM50248382 (+/-)-1-Oxo-hexahydro-1lambda*4*-thiopyran-4-carboxylic acid{(S)-3-[4-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-piperidin-1-yl]-1-phenyl-butyl}-amide::CHEMBL523267

SMILES: CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCS(=O)CC1)c1ccccc1

InChI Key: InChIKey=LEHOUXIHBMZBJZ-KDOBJBSRSA-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 = 50248382   

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))	BDBM50248382 ((+/-)-1-Oxo-hexahydro-1lambda*4*-thiopyran-4-carbo...) Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCS(=O)CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H41N5O2S/c1-19(2)26-30-29-21(4)32(26)24-10-14-31(15-11-24)20(3)18-25(22-8-6-5-7-9-22)28-27(33)23-12-16-35(34)17-13-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,28,33)/t20?,23?,25-,35?/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	4.87	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...				Bioorg Med Chem Lett 19: 1499-503 (2009) Article DOI: 10.1016/j.bmcl.2009.01.008 BindingDB Entry DOI: 10.7270/Q2PN96JF
					More data for this Ligand-Target Pair