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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'labarbera' and Initial = 'dv'   
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
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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PubMed
2.11E+3n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate by double reciproca...


J Nat Prod 79: 1439-44 (2016)


BindingDB Entry DOI: 10.7270/Q2CN75T2
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50145077
PNG
(CHEMBL3764535)
Show SMILES O=C(c1[nH]c2[nH]c(CCCC#C)nc(=O)c2c1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19N3O2/c1-2-3-6-15-18-25-23-20(24(29)26-18)19(16-11-7-4-8-12-16)21(27-23)22(28)17-13-9-5-10-14-17/h1,4-5,7-14H,3,6,15H2,(H2,25,26,27,29)
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PC cid
PC sid
UniChem
PubMed
n/an/a 250n/an/an/an/an/an/a



Texas State University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin assembly after 15 mins by turbidimetric analysis


J Med Chem 59: 480-5 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6N7Q
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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CHEMBL
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PC sid
PDB
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PubMed
n/an/a 650n/an/an/an/an/an/a



Texas State University

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin assembly after 15 mins by turbidimetric analysis


J Med Chem 59: 480-5 (2016)


BindingDB Entry DOI: 10.7270/Q2PV6N7Q
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a 2.69E+3n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate in presence of NADPH by spectroph...


J Nat Prod 79: 1439-44 (2016)


BindingDB Entry DOI: 10.7270/Q2CN75T2
More data for this
Ligand-Target Pair