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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: P07327   
Target/Host
(Institution)
LigandTarget/Host
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
Alcohol dehydrogenase 1A


(Homo sapiens (Human))
BDBM50518790
PNG
(CHEMBL4465918)
Show SMILES Oc1cc2N(C[C@@H](CCl)c2c2ccccc12)C(=O)CCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 |r|
Show InChI InChI=1S/C31H28Cl2N2O4/c32-14-18-16-34(24-12-26(36)20-6-1-3-8-22(20)30(18)24)28(38)10-5-11-29(39)35-17-19(15-33)31-23-9-4-2-7-21(23)27(37)13-25(31)35/h1-4,6-9,12-13,18-19,36-37H,5,10-11,14-17H2/t18-,19-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of ADH1 (unknown origin) preincubated for 2 hrs followed by substrate/NAD+ addition


J Nat Prod 82: 16-26 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00233
BindingDB Entry DOI: 10.7270/Q2FX7DVS
More data for this
Ligand-Target Pair
Alcohol dehydrogenase 1A


(Homo sapiens (Human))
BDBM50518789
PNG
(CHEMBL4473548)
Show SMILES C[C@@H]1CN(C(=O)CCCC(=O)N2C[C@@H](C)c3c2cc(O)c2ccccc32)c2cc(O)c3ccccc3c12 |r|
Show InChI InChI=1S/C31H30N2O4/c1-18-16-32(24-14-26(34)20-8-3-5-10-22(20)30(18)24)28(36)12-7-13-29(37)33-17-19(2)31-23-11-6-4-9-21(23)27(35)15-25(31)33/h3-6,8-11,14-15,18-19,34-35H,7,12-13,16-17H2,1-2H3/t18-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Albert Ludwigs University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of ADH1 (unknown origin) preincubated for 2 hrs followed by substrate/NAD+ addition


J Nat Prod 82: 16-26 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00233
BindingDB Entry DOI: 10.7270/Q2FX7DVS
More data for this
Ligand-Target Pair