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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'T-cell surface antigen CD2' and Ligand = 'BDBM50393201'   
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 antigen CD2


(Homo sapiens (Human))
BDBM50393201
PNG
(CHEMBL2153728)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CCc2cccc3c4cccc(CCNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC1=O)c4oc23
Show InChI InChI=1S/C50H62N8O15/c1-3-26(2)42-50(72)54-33(12-4-5-20-51)46(68)57-37(25-41(65)66)48(70)56-35(23-39(61)62)45(67)52-21-19-29-9-7-11-32-31-10-6-8-28(43(31)73-44(29)32)15-18-38(60)53-36(24-40(63)64)47(69)55-34(49(71)58-42)22-27-13-16-30(59)17-14-27/h6-11,13-14,16-17,26,33-37,42,59H,3-5,12,15,18-25,51H2,1-2H3,(H,52,67)(H,53,60)(H,54,72)(H,55,69)(H,56,70)(H,57,68)(H,58,71)(H,61,62)(H,63,64)(H,65,66)/t26-,33-,34-,35-,36-,37-,42-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25.7n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of CD2 assessed as inhibition of CD2-CD58 protein-protein interaction mediated cell adhesion between CD58 expressing sheep red blood cells...


J Med Chem 54: 5307-19 (2011)


Article DOI: 10.1021/jm200004e
BindingDB Entry DOI: 10.7270/Q2TM7C7M
More data for this
Ligand-Target Pair