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There are 1 purchasable compounds for target: Aldehyde dehydrogenase family 1 member A2

Wt: 444.9
BDBM65735
Wt: 383.4
BDBM50076552
Wt: 478.9
BDBM50076698

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 65735,50076552,50076698   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinal dehydrogenase 2


(Homo sapiens)
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

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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...


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


(Homo sapiens)
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
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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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...


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


(Homo sapiens)
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 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
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...


Citation and Details
More data for this
Ligand-Target Pair