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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'T-cell surface glycoprotein CD4' and Ligand = 'BDBM50077218'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
T-cell surface glycoprotein CD4


(Homo sapiens (Human))
BDBM50077218
PNG
(2-(2-carboxybenzyloxy)-5-{1-[3-carboxy-4-(2-carbox...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6@H]1-[#6]-[#6]-[#6]2-[#6]-3-[#6]-[#6]-[#6]4-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](/c5cc(Cl)c(-[#8]-[#6]-c6ccccc6-[#6](-[#8])=O)c(c5)-[#6](-[#8])=O)-c5cc(Cl)c(-[#8]-[#6]-c6ccccc6-[#6](-[#8])=O)c(c5)-[#6](-[#8])=O)-[#6]-[#6][C@]4([#6])[#6]-3-[#6]-[#6][C@]12[#6]
Show InChI InChI=1S/C61H72Cl2O10/c1-35(2)12-10-13-36(3)49-22-23-50-46-21-20-42-28-37(24-26-60(42,4)51(46)25-27-61(49,50)5)14-11-19-43(40-29-47(58(68)69)54(52(62)31-40)72-33-38-15-6-8-17-44(38)56(64)65)41-30-48(59(70)71)55(53(63)32-41)73-34-39-16-7-9-18-45(39)57(66)67/h6-9,15-19,29-32,35-37,42,46,49-51H,10-14,20-28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t36?,37-,42?,46?,49+,50?,51?,60-,61+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>3.70E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay


J Med Chem 44: 703-14 (2001)


BindingDB Entry DOI: 10.7270/Q2TX3GKX
More data for this
Ligand-Target Pair