BDBM50313882 5-((3aR,6aS)-5-((S)-5-butyl-2-oxo-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)-5-methyloctahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL1077361

SMILES: CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)cc(nc1C)C#N

InChI Key: InChIKey=FFVDMIZCWCETSU-BDRHFOFLSA-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 = 50313882   

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))	BDBM50313882 (5-((3aR,6aS)-5-((S)-5-butyl-2-oxo-3-((tetrahydro-2...) Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)cc(nc1C)C#N |r| Show InChI InChI=1S/C35H51N5O4/c1-5-6-7-29-23-39(20-26-8-14-43-15-9-26)33(42)44-35(29)10-12-40(13-11-35)34(4)17-27-21-38(22-28(27)18-34)32(41)31-24(2)16-30(19-36)37-25(31)3/h16,26-29H,5-15,17-18,20-23H2,1-4H3/t27-,28+,29-,34?/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	61	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells				Bioorg Med Chem Lett 20: 1830-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.004 BindingDB Entry DOI: 10.7270/Q25Q4W7T
					More data for this Ligand-Target Pair