BindingDB logo
myBDB logout

PubMed code 1433220

Compile data set for download or QSAR
Found 12 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))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
0.00250n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Bos taurus (bovine))
BDBM50367032
PNG
(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
Show InChI InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PubMed
0.0100n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


Citation and Details
Checked by Author
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
PubMed
2n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003610
PNG
(2-(6-Amino-purin-9-yl)-octan-1-ol | CHEMBL335918)
Show SMILES CCCCCC[C@H](CO)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(7-19)18-9-17-11-12(14)15-8-16-13(11)18/h8-10,19H,2-7H2,1H3,(H2,14,15,16)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
47n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003609
PNG
(3-(6-Amino-purin-9-yl)-nonane-1,2-diol | CHEMBL132...)
Show SMILES CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O2/c1-2-3-4-5-6-10(11(21)7-20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20-21H,2-7H2,1H3,(H2,15,16,17)/t10-,11+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
56n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003606
PNG
(9-(1-Chloromethyl-heptyl)-9H-purin-6-ylamine | CHE...)
Show SMILES CCCCCC[C@H](CCl)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H20ClN5/c1-2-3-4-5-6-10(7-14)19-9-18-11-12(15)16-8-17-13(11)19/h8-10H,2-7H2,1H3,(H2,15,16,17)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
320n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003604
PNG
(9-(1-Bromomethyl-heptyl)-9H-purin-6-ylamine | CHEM...)
Show SMILES CCCCCC[C@H](CBr)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H20BrN5/c1-2-3-4-5-6-10(7-14)19-9-18-11-12(15)16-8-17-13(11)19/h8-10H,2-7H2,1H3,(H2,15,16,17)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
600n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003608
PNG
(9-(1-Oxiranyl-heptyl)-9H-purin-6-ylamine | CHEMBL1...)
Show SMILES CCCCCC[C@H]([C@@H]1CO1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O/c1-2-3-4-5-6-10(11-7-20-11)19-9-18-12-13(15)16-8-17-14(12)19/h8-11H,2-7H2,1H3,(H2,15,16,17)/t10-,11+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
890n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003605
PNG
(CHEMBL422438 | Toluene-4-sulfonate8-amino-3-hexyl-...)
Show SMILES CCCCCCC1C(O)Cn2cnc(=[NH2+])c3ncn1c23
Show InChI InChI=1S/C14H21N5O/c1-2-3-4-5-6-10-11(20)7-18-8-17-13(15)12-14(18)19(10)9-16-12/h8-11,15,20H,2-7H2,1H3/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003607
PNG
(9-(1-Azidomethyl-heptyl)-9H-purin-6-ylamine | CHEM...)
Show SMILES CCCCCC[C@H](CN=[N+]=[N-])n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H20N8/c1-2-3-4-5-6-10(7-19-20-15)21-9-18-11-12(14)16-8-17-13(11)21/h8-10H,2-7H2,1H3,(H2,14,16,17)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.30E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal adenosine deaminase.


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50003601
PNG
(9-(1-Fluoromethyl-heptyl)-9H-purin-6-ylamine | CHE...)
Show SMILES CCCCCC[C@H](CF)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H20FN5/c1-2-3-4-5-6-10(7-14)19-9-18-11-12(15)16-8-17-13(11)19/h8-10H,2-7H2,1H3,(H2,15,16,17)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.60E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at calf intestinal Adenosine deaminase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%