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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'bussolari' and Initial = 'jc'   
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
Adenosine deaminase


(Homo sapiens (Human))
BDBM50368778
PNG
(CHEMBL610668)
Show SMILES Nc1nncc2n(nnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H12N6O4/c10-8-5-3(1-11-13-8)15(14-12-5)9-7(18)6(17)4(2-16)19-9/h1,4,6-7,9,16-18H,2H2,(H2,10,13)/t4-,6-,7-,9?/m1/s1
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1.41E+6n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Tested for inhibition against human plasma adenosine deaminase (ADA2)


J Med Chem 36: 4113-20 (1994)


BindingDB Entry DOI: 10.7270/Q2B27VXH
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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PubMed
2.18E+6n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Tested for binding constant against adenosine deaminase (ADA2) in human plasma


J Med Chem 36: 4113-20 (1994)


BindingDB Entry DOI: 10.7270/Q2B27VXH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 4.00E+4n/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Effective concentration required for cyclic AMP dependent inhibition of blood platelet aggregation for A2 receptor stimulation


J Med Chem 36: 4113-20 (1994)


BindingDB Entry DOI: 10.7270/Q2B27VXH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)