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BDBM50198942 (S)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL558043

SMILES: CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@@H](O)C(C)C

InChI Key: InChIKey=WUTCDIFLPLKLBC-UIOOFZCWSA-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 = 50198942   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50198942
PNG
((S)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@@H](O)C(C)C
Show InChI InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells


Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50198942
PNG
((S)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4...)
Show SMILES CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@@H](O)C(C)C
Show InChI InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization


Bioorg Med Chem Lett 17: 727-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.084
BindingDB Entry DOI: 10.7270/Q2XK8GCM
More data for this
Ligand-Target Pair