BindingDB logo
myBDB logout

PubMed code 24607578

Compile data set for download or QSAR
Found 11 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
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.12E+3n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110184
PNG
((4E)‐3‐amino‐4‐{[3‐(...)
Show SMILES NC(=S)N1N=C(N)C(=Cc2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O |w:8.8,t:4|
Show InChI InChI=1S/C20H15ClN6OS/c21-14-8-6-12(7-9-14)17-13(11-26(24-17)15-4-2-1-3-5-15)10-16-18(22)25-27(19(16)28)20(23)29/h1-11H,(H2,22,25)(H2,23,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110178
PNG
(3-Amino-4-[3-(4I-methoxyphenyl)-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccc(cc1)-c1cc(Cc2c(N)[nH][nH]c2=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C20H19N5O2/c1-27-16-9-7-13(8-10-16)18-12-15(11-17-19(21)22-23-20(17)26)25(24-18)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H4,21,22,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70E+3n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110183
PNG
((4Z)‐3‐amino‐4‐{[5‐(...)
Show SMILES COc1ccc(cc1)-c1cc(C=C2C(N)=NN(C(N)=S)C2=O)n(n1)-c1ccccc1 |w:11.11,c:15|
Show InChI InChI=1S/C21H18N6O2S/c1-29-16-9-7-13(8-10-16)18-12-15(26(24-18)14-5-3-2-4-6-14)11-17-19(22)25-27(20(17)28)21(23)30/h2-12H,1H3,(H2,22,25)(H2,23,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10E+3n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110179
PNG
((4E)‐5‐amino‐4‐{[3‐(...)
Show SMILES NC1=NNC(=O)C1=Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C19H14ClN5O/c20-14-8-6-12(7-9-14)17-13(10-16-18(21)22-23-19(16)26)11-25(24-17)15-4-2-1-3-5-15/h1-11H,(H2,21,22)(H,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+3n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110181
PNG
((3Z)‐4‐amino‐3‐[(4‐m...)
Show SMILES NC(=S)N1C=C(N)C(=Cc2ccc(F)cc2)C1=O |w:8.8,t:4|
Show InChI InChI=1S/C12H10FN3OS/c13-8-3-1-7(2-4-8)5-9-10(14)6-16(11(9)17)12(15)18/h1-6H,14H2,(H2,15,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.19E+4n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110180
PNG
((3Z)‐4‐amino‐3‐[(4‐c...)
Show SMILES NC(=S)N1C=C(N)C(=Cc2ccc(Cl)cc2)C1=O |w:8.8,t:4|
Show InChI InChI=1S/C12H10ClN3OS/c13-8-3-1-7(2-4-8)5-9-10(14)6-16(11(9)17)12(15)18/h1-6H,14H2,(H2,15,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+4n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110181
PNG
((3Z)‐4‐amino‐3‐[(4‐m...)
Show SMILES NC(=S)N1C=C(N)C(=Cc2ccc(F)cc2)C1=O |w:8.8,t:4|
Show InChI InChI=1S/C12H10FN3OS/c13-8-3-1-7(2-4-8)5-9-10(14)6-16(11(9)17)12(15)18/h1-6H,14H2,(H2,15,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.28E+4n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110175
PNG
(3-Amino-4-(4I-chloro benzylidene)-1H-pyrazol-5(4H)...)
Show SMILES NC1=CNC(=O)C1=Cc1ccc(Cl)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C11H9ClN2O/c12-8-3-1-7(2-4-8)5-9-10(13)6-14-11(9)15/h1-6H,13H2,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.67E+4n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110177
PNG
((3Z)‐4‐amino‐3‐[(4‐m...)
Show SMILES COc1ccc(C=C2C(=O)NC=C2N)cc1 |w:6.5,c:11|
Show InChI InChI=1S/C12H12N2O2/c1-16-9-4-2-8(3-5-9)6-10-11(13)7-14-12(10)15/h2-7H,13H2,1H3,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.76E+4n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM110176
PNG
(3-Amino-4-(4I-fluoro benzylidene)-1H-pyrazol-5(4H)...)
Show SMILES NC1=CNC(=O)C1=Cc1ccc(F)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C11H9FN2O/c12-8-3-1-7(2-4-8)5-9-10(13)6-14-11(9)15/h1-6H,13H2,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.88E+4n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...


Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%