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BDBM50331655 4-(2-(allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)amino)-2-oxoethyl)benzamide::CHEMBL1288921

SMILES: CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Cc3ccc(cc3)C(N)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F

InChI Key: InChIKey=SYLAELUHIQTVAM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50331655   
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))		BDBM50331655
PNG
(4-(2-(allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-c...)
Show SMILES CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Cc3ccc(cc3)C(N)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F
Show InChI InChI=1S/C41H50ClF2N5O5S/c1-5-18-49(37(50)24-28-9-11-29(12-10-28)38(45)51)32-13-19-47(20-14-32)21-15-41(30-7-6-8-31(43)25-30)16-22-48(23-17-41)39(52)33-26-36(35(44)27-34(33)42)55(53,54)46-40(2,3)4/h5-12,25-27,32,46H,1,13-24H2,2-4H3,(H2,45,51)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection

Bioorg Med Chem Lett 20: 7397-400 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.033
BindingDB Entry DOI: 10.7270/Q27081P6
More data for this
Ligand-Target Pair