BindingDB logo
myBDB logout

PubMed code 11101360

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))
BDBM50070641
PNG
((2S,3R)-3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-o...)
Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1C)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H23N5O/c1-12-6-3-4-7-14(12)8-5-9-15(13(2)24)23-11-22-16-17(19)20-10-21-18(16)23/h3-4,6-7,10-11,13,15,24H,5,8-9H2,1-2H3,(H2,19,20,21)/t13-,15+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
0.510n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50070646
PNG
((2S,3R)-3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-o...)
Show SMILES C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H23N5O/c1-13(24)15(10-6-5-9-14-7-3-2-4-8-14)23-12-22-16-17(19)20-11-21-18(16)23/h2-4,7-8,11-13,15,24H,5-6,9-10H2,1H3,(H2,19,20,21)/t13-,15+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
0.760n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50070642
PNG
((2S,3R)-3-(6-Amino-purin-9-yl)-6-phenyl-hexan-2-ol...)
Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H21N5O/c1-12(23)14(9-5-8-13-6-3-2-4-7-13)22-11-21-15-16(18)19-10-20-17(15)22/h2-4,6-7,10-12,14,23H,5,8-9H2,1H3,(H2,18,19,20)/t12-,14+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
0.890n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50070645
PNG
((2S,3R)-3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol...)
Show SMILES C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H25N5O/c1-14(25)16(11-7-3-6-10-15-8-4-2-5-9-15)24-13-23-17-18(20)21-12-22-19(17)24/h2,4-5,8-9,12-14,16,25H,3,6-7,10-11H2,1H3,(H2,20,21,22)/t14-,16+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
0.950n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50070643
PNG
((2S,3R)-3-(6-Amino-purin-9-yl)-5-m-tolyl-pentan-2-...)
Show SMILES C[C@H](O)[C@@H](CCc1cccc(C)c1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H21N5O/c1-11-4-3-5-13(8-11)6-7-14(12(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h3-5,8-10,12,14,23H,6-7H2,1-2H3,(H2,18,19,20)/t12-,14+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
1.02n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
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+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
1.13n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Bos taurus (bovine))
BDBM50288072
PNG
((Z)-(2S,3R)-3-(6-Amino-purin-9-yl)-non-5-en-2-ol |...)
Show SMILES CCC\C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5-/t10-,11+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.74n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50288073
PNG
((E)-(2S,3R)-3-(6-Amino-purin-9-yl)-non-5-en-2-ol |...)
Show SMILES CCC\C=C\C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5+/t10-,11+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
50.7n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50094662
PNG
(3-(6-Amino-purin-9-yl)-4-phenethyloxy-butan-2-ol)
Show SMILES C[C@H](O)C(COCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H21N5O2/c1-12(23)14(9-24-8-7-13-5-3-2-4-6-13)22-11-21-15-16(18)19-10-20-17(15)22/h2-6,10-12,14,23H,7-9H2,1H3,(H2,18,19,20)/t12-,14?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
93.1n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50094663
PNG
(3-(6-Amino-purin-9-yl)-4-butoxy-butan-2-ol)
Show SMILES CCCCOCC([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H21N5O2/c1-3-4-5-20-6-10(9(2)19)18-8-17-11-12(14)15-7-16-13(11)18/h7-10,19H,3-6H2,1-2H3,(H2,14,15,16)/t9-,10?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
123n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50070644
PNG
((2S,3R)-3-(6-Amino-purin-9-yl)-4-(3-ethyl-phenyl)-...)
Show SMILES CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1
Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
133n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50288071
PNG
((2S,3R)-3-(6-Amino-purin-9-yl)-non-5-yn-2-ol | 3-(...)
Show SMILES CCCC#CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H19N5O/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,3-4,7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
188n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50422343
PNG
(CHEMBL2310914)
Show SMILES CCCc1ccccc1CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H25N5O/c1-3-6-14-7-4-5-8-15(14)9-10-16(13(2)25)24-12-23-17-18(20)21-11-22-19(17)24/h4-5,7-8,11-13,16,25H,3,6,9-10H2,1-2H3,(H2,20,21,22)/t13-,16+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
302n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50070640
PNG
((2S,3R)-3-(6-Amino-purin-9-yl)-4-p-tolyl-butan-2-o...)
Show SMILES C[C@H](O)[C@@H](Cc1ccc(C)cc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H19N5O/c1-10-3-5-12(6-4-10)7-13(11(2)22)21-9-20-14-15(17)18-8-19-16(14)21/h3-6,8-9,11,13,22H,7H2,1-2H3,(H2,17,18,19)/t11-,13+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
302n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of Adenosine deaminase (ADA) of calf intestine


J Med Chem 43: 4694-700 (2001)


Article DOI: 10.1021/jm0002533
BindingDB Entry DOI: 10.7270/Q2KD1ZM2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%