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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Retinal dehydrogenase 2'   
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
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50236909
PNG
(CHEMBL4090473)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 65n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50236908
PNG
(CHEMBL1562069)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 69n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50236905
PNG
(CHEMBL1349972)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 130n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50236899
PNG
(CHEMBL4099822)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
n/an/a 300n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50236900
PNG
(CHEMBL4072941)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 330n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50236896
PNG
(CHEMBL4064364)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 760n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 long receptor expressed in CHO cells; high binding affinity


Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50236904
PNG
(CHEMBL1335126)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.60E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50409029
PNG
(DAIDZIN)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
n/an/a 4.50E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50078833
PNG
(4-Methyl-7-(diethylamino)coumarin | 7-(diethylamin...)
Show SMILES CCN(CC)c1ccc2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

n/an/a>1.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
In vitro for its ability to displace [3H]- SCH 23390 from Dopamine receptor D1 in bovine striatal membrane expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50236906
PNG
(CHEMBL4072973)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.10E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50076502
PNG
(CHEMBL1524501)
Show SMILES CCCCn1c(Oc2ccc(cc2)C(=O)OC)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H22N4O5/c1-5-6-11-23-14-15(21(2)19(26)22(3)16(14)24)20-18(23)28-13-9-7-12(8-10-13)17(25)27-4/h7-10H,5-6,11H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALDH1A2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...


J Med Chem 58: 1964-75 (2015)

More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM65735
PNG
(7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methy...)
Show SMILES CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C22H29ClN6O2/c1-4-5-9-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-10-12-28(13-11-27)17-8-6-7-16(23)14-17/h6-8,14H,4-5,9-13,15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALDH1A2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...


J Med Chem 58: 1964-75 (2015)

More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50076552
PNG
(CHEMBL1311611)
Show SMILES CC(C)CCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C21H29N5O2/c1-15(2)11-12-26-17(14-23(3)13-16-9-7-6-8-10-16)22-19-18(26)20(27)25(5)21(28)24(19)4/h6-10,15H,11-14H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALDH1A2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...


J Med Chem 58: 1964-75 (2015)

More data for this
Ligand-Target Pair
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50076698
PNG
(CHEMBL3416561)
Show SMILES Cn1c2nc(N3CCN(Cc4ccccc4)CC3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H27ClN6O2/c1-28-22-21(23(33)29(2)25(28)34)32(17-19-9-6-10-20(26)15-19)24(27-22)31-13-11-30(12-14-31)16-18-7-4-3-5-8-18/h3-10,15H,11-14,16-17H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALDH1A2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...


J Med Chem 58: 1964-75 (2015)

More data for this
Ligand-Target Pair