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SMILES: COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50568668   
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 1)		BDBM50568668
PNG
(CHEMBL4871020)
Show SMILES COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01153
BindingDB Entry DOI: 10.7270/Q2BC4399
More data for this
Ligand-Target Pair