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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'T-cell surface antigen CD2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50393200
PNG
(CHEMBL2153727)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)CC
Show InChI InChI=1S/C52H77N11O18/c1-5-26(3)41-49(78)54-30(11-7-8-18-53)43(72)59-35(25-64)47(76)61-42(27(4)6-2)50(79)57-31(21-28-14-16-29(65)17-15-28)44(73)58-34(24-40(70)71)51(80)63-20-10-13-37(63)52(81)62-19-9-12-36(62)48(77)56-32(22-38(66)67)45(74)55-33(23-39(68)69)46(75)60-41/h14-17,26-27,30-37,41-42,64-65H,5-13,18-25,53H2,1-4H3,(H,54,78)(H,55,74)(H,56,77)(H,57,79)(H,58,73)(H,59,72)(H,60,75)(H,61,76)(H,66,67)(H,68,69)(H,70,71)/t26-,27-,30-,31-,32-,33-,34-,35-,36-,37+,41-,42-/m0/s1
PDB
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PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.40n/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...


Citation and Details
More data for this
Ligand-Target Pair
T-cell surface antigen CD2


(Homo sapiens)
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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UniProtKB/SwissProt

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


Citation and Details
More data for this
Ligand-Target Pair