BindingDB logo
myBDB logout

8 similar compounds to monomer 50025878

Compile data set for download or QSAR
Wt: 189.2
BDBM50025879
Purchase
Wt: 189.2
BDBM50374527
Wt: 442.2
BDBM50405246
Wt: 409.8
BDBM50405250
Wt: 458.6
BDBM50405251
Wt: 409.8
BDBM50405253
Wt: 503.1
BDBM50405255
Wt: 407.8
BDBM50405257

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50025879,50374527,50405246,50405250,50405251,50405253,50405255,50405257   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydropteridine reductase


(Homo sapiens (Human))
BDBM50025879
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-pheno...)
Show SMILES CN1CCC(=CC1)c1ccc(O)cc1
Show InChI InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dihydrofolate reductase of rat liver


J Med Chem 28: 311-7 (1985)


Article DOI: 10.1021/jm00381a009
BindingDB Entry DOI: 10.7270/Q2XK8DKG
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)
BDBM50374527
PNG
(CHEMBL552965)
Show SMILES CN1CCC(=CC1)c1cccc(O)c1
Show InChI InChI=1S/C12H15NO/c1-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-5,9,14H,6-8H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.58E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts


J Med Chem 51: 760-8 (2008)


Article DOI: 10.1021/jm070875p
BindingDB Entry DOI: 10.7270/Q2M909J6
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)
BDBM50025879
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-pheno...)
Show SMILES CN1CCC(=CC1)c1ccc(O)cc1
Show InChI InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.34E+5n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts


J Med Chem 51: 760-8 (2008)


Article DOI: 10.1021/jm070875p
BindingDB Entry DOI: 10.7270/Q2M909J6
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50405253
PNG
(CHEMBL4170325)
Show SMILES COc1ccc2nc(-c3ccc(Cl)cc3)c3nc(C)n(CC(O)=O)c(=O)c3c2c1
Show InChI InChI=1S/C14H17NO3/c1-10(16)15-7-5-11(6-8-15)12-3-4-13(17)14(9-12)18-2/h3-5,9,17H,6-8H2,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His10-tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21 using D,L-glyceraldehyde as substrate pretreated fo...


Eur J Med Chem 152: 160-174 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.015
BindingDB Entry DOI: 10.7270/Q2KK9FCG
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50405255
PNG
(CHEMBL4171785)
Show SMILES Cc1nc2c(nc3ccc(Br)cc3c2c(=O)n1CC(O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C12H15NO2/c1-15-12-8-10(2-3-11(12)14)9-4-6-13-7-5-9/h2-4,8,13-14H,5-7H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.63E+4n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His10-tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21 using D,L-glyceraldehyde as substrate pretreated fo...


Eur J Med Chem 152: 160-174 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.015
BindingDB Entry DOI: 10.7270/Q2KK9FCG
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50405251
PNG
(CHEMBL4161183)
Show SMILES Cc1nc2c(nc3ccc(Br)cc3c2c(=O)n1CC(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-4-10(5-7-14)11-2-3-12(16)13(17)8-11/h2-4,8,16-17H,5-7H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.78E+4n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His10-tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21 using D,L-glyceraldehyde as substrate pretreated fo...


Eur J Med Chem 152: 160-174 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.015
BindingDB Entry DOI: 10.7270/Q2KK9FCG
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50405257
PNG
(CHEMBL4174434)
Show SMILES CCCc1nc2c(nc3ccccc3c2c(=O)n1CC(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H13NO2/c13-10-2-1-9(7-11(10)14)8-3-5-12-6-4-8/h1-3,7,12-14H,4-6H2
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.33E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His10-tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21 using D,L-glyceraldehyde as substrate pretreated fo...


Eur J Med Chem 152: 160-174 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.015
BindingDB Entry DOI: 10.7270/Q2KK9FCG
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50405246
PNG
(CHEMBL4175230)
Show SMILES Cc1nc2c(nc3ccc(F)cc3c2c(=O)n1CC(O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C13H17NO2/c1-14-7-5-10(6-8-14)11-3-4-12(15)13(9-11)16-2/h3-5,9,15H,6-8H2,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.61E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His10-tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21 using D,L-glyceraldehyde as substrate pretreated fo...


Eur J Med Chem 152: 160-174 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.015
BindingDB Entry DOI: 10.7270/Q2KK9FCG
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50405250
PNG
(CHEMBL4168430)
Show SMILES COc1ccc(cc1)-c1nc2ccc(Cl)cc2c2c1nc(C)n(CC(O)=O)c2=O
Show InChI InChI=1S/C15H19NO3/c1-11(17)16-8-6-12(7-9-16)13-4-5-14(18-2)15(10-13)19-3/h4-6,10H,7-9H2,1-3H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His10-tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21 using D,L-glyceraldehyde as substrate pretreated fo...


Eur J Med Chem 152: 160-174 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.015
BindingDB Entry DOI: 10.7270/Q2KK9FCG
More data for this
Ligand-Target Pair