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BDBM50321687 CHEMBL1172041::benzo[c][1,2,5]oxadiazol-5-ylmethyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate

SMILES: O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc2nonc2c1)C(=O)C1CCCC1)c1ccccc1

InChI Key: InChIKey=FVLUABNJOZKWTR-IFJOLPHCNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50321687   
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))
BDBM50321687
PNG
(CHEMBL1172041 | benzo[c][1,2,5]oxadiazol-5-ylmethy...)
Show SMILES O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc2nonc2c1)C(=O)C1CCCC1)c1ccccc1
Show InChI InChI=1/C33H41N5O5/c1-2-16-38(32(40)42-22-24-12-13-29-30(19-24)35-43-34-29)28-14-17-36(18-15-28)20-27-21-37(31(39)25-8-6-7-9-25)23-33(27,41)26-10-4-3-5-11-26/h2-5,10-13,19,25,27-28,41H,1,6-9,14-18,20-23H2/t27-,33-/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 114n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay


Bioorg Med Chem Lett 20: 4012-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.102
BindingDB Entry DOI: 10.7270/Q2H132Z4
More data for this
Ligand-Target Pair