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Compile Data Set for Download or QSAR

Found 3 hits from University of North Carolina at Chapel Hill   
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
Aldehyde dehydrogenase 1A1


(Homo sapiens (Human))
BDBM50459608
PNG
(CHEBI:90441 | CHEMBL3276621)
Show SMILES ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl
Show InChI InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem
n/an/a 102n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3


(Homo sapiens (Human))
BDBM50459608
PNG
(CHEBI:90441 | CHEMBL3276621)
Show SMILES ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl
Show InChI InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
n/an/a 187n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Peroxisomal acyl-coenzyme A oxidase 1


(Homo sapiens)
BDBM81461
PNG
(CAS_86-54-4 | Hydralazine | Hydralazine (HZN) | NS...)
Show SMILES NNc1nncc2ccccc12
Show InChI InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 420n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair