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BDBM50333270 4-(3-((4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl)methyl)-2-methylenebut-3-enyl)-1,2-dimethylbenzene::CHEMBL1645122

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1

InChI Key: InChIKey=PPDMVLKBLMCDCE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50333270   
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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM50333270
PNG
(4-(3-((4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl)me...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C18H23ClFN3O4/c1-18(2,3)27-17(26)23-8-6-11(7-9-23)21-15(24)16(25)22-12-4-5-13(19)14(20)10-12/h4-5,10-11H,6-9H2,1-3H3,(H,21,24)(H,22,25)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs


Bioorg Med Chem 19: 91-101 (2011)


Article DOI: 10.1016/j.bmc.2010.11.049
BindingDB Entry DOI: 10.7270/Q25H7GHH
More data for this
Ligand-Target Pair