BDBM50313885 CHEMBL1077364::trans-(5S)-5-butyl-9-((3aR,6aS)-2-(4,6-dimethylpyrimidine-5-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)-3-((4-isopropoxycyclohexyl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

SMILES: CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OC(C)C)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C

InChI Key: InChIKey=JTBUHRUYGFDKGW-WLROMLMPSA-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 = 50313885   

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))	BDBM50313885 (CHEMBL1077364 | trans-(5S)-5-butyl-9-((3aR,6aS)-2-...) Show SMILES CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OC(C)C)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C |r,wU:8.7,wD:29.32,33.35,4.3,11.14,(.35,-43.61,;-1.19,-43.62,;-1.96,-44.95,;-3.5,-44.96,;-4.26,-46.29,;-5.8,-46.3,;-6.57,-47.64,;-8.11,-47.64,;-8.89,-46.31,;-10.43,-46.32,;-11.2,-44.98,;-10.43,-43.64,;-8.89,-43.65,;-8.12,-44.98,;-11.19,-42.31,;-10.42,-40.98,;-8.88,-40.98,;-11.19,-39.64,;-5.8,-48.98,;-6.56,-50.31,;-4.25,-48.97,;-3.48,-47.63,;-2.7,-46.31,;-1.17,-46.32,;-.4,-47.66,;-1.18,-48.99,;-2.72,-48.98,;1.14,-47.67,;2.05,-48.91,;3.51,-48.45,;4.97,-48.93,;5.89,-47.69,;4.99,-46.44,;3.52,-46.91,;2.06,-46.42,;7.43,-47.7,;8.2,-46.37,;8.19,-49.04,;7.41,-50.36,;5.87,-50.35,;8.17,-51.7,;9.71,-51.71,;10.49,-50.37,;9.72,-49.04,;10.5,-47.7,)| Show InChI InChI=1S/C36H57N5O4/c1-6-7-8-30-22-41(19-27-9-11-32(12-10-27)44-24(2)3)35(43)45-36(30)13-15-39(16-14-36)31-17-28-20-40(21-29(28)18-31)34(42)33-25(4)37-23-38-26(33)5/h23-24,27-32H,6-22H2,1-5H3/t27-,28-,29+,30-,31?,32-/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	23	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