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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50004394   
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


(Bos taurus (bovine))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf intestinal adenosine deaminase (ADA); No data


J Med Chem 25: 603-5 (1982)

Checked by Author
Article DOI: 10.1021/jm00347a023
BindingDB Entry DOI: 10.7270/Q26M35WJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50028246
PNG
(3-Purin-9-yl-nonan-2-ol | CHEMBL321338)
Show SMILES CCCCCCC(C(C)O)n1cnc2cncnc12
Show InChI InChI=1S/C14H22N4O/c1-3-4-5-6-7-13(11(2)19)18-10-17-12-8-15-9-16-14(12)18/h8-11,13,19H,3-7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf intestinal adenosine deaminase (ADA).


J Med Chem 25: 603-5 (1982)

Checked by Author
Article DOI: 10.1021/jm00347a023
BindingDB Entry DOI: 10.7270/Q26M35WJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50421706
PNG
(6-(Hydroxymethyl)Purine | CHEMBL157495)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CO)ncnc12
Show InChI InChI=1S/C11H14N4O5/c16-1-5-7-10(13-3-12-5)15(4-14-7)11-9(19)8(18)6(2-17)20-11/h3-4,6,8-9,11,16-19H,1-2H2/t6-,8-,9-,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf intestinal adenosine deaminase (ADA); No data


J Med Chem 25: 603-5 (1982)

Checked by Author
Article DOI: 10.1021/jm00347a023
BindingDB Entry DOI: 10.7270/Q26M35WJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50421705
PNG
(CHEMBL157130)
Show SMILES CCCCCCC(C(C)O)n1cnc2C(NCNc12)C=O
Show InChI InChI=1S/C15H26N4O2/c1-3-4-5-6-7-13(11(2)21)19-10-18-14-12(8-20)16-9-17-15(14)19/h8,10-13,16-17,21H,3-7,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf intestinal adenosine deaminase (ADA); No data


J Med Chem 25: 603-5 (1982)

Checked by Author
Article DOI: 10.1021/jm00347a023
BindingDB Entry DOI: 10.7270/Q26M35WJ
More data for this
Ligand-Target Pair