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BDBM50330386 4-(4'-hydroxy-phenylamino)-4-oxo propanoic acid::CHEMBL1275862

SMILES: OC(=O)CCC(=O)Nc1ccc(O)cc1

InChI Key: InChIKey=GTGJPSXOXNMQKV-UHFFFAOYSA-N

Data: 2 Kd

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50330386   
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
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50330386
PNG
(4-(4'-hydroxy-phenylamino)-4-oxo propanoic acid | ...)
Show SMILES OC(=O)CCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
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Article
PubMed
n/an/an/a 2.25E+3n/an/an/an/an/a



Instituto Politécnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human CYP1A1


Eur J Med Chem 45: 4845-55 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.055
More data for this
Ligand-Target Pair
Cytochrome P450 2B1


(Rattus norvegicus)
BDBM50330386
PNG
(4-(4'-hydroxy-phenylamino)-4-oxo propanoic acid | ...)
Show SMILES OC(=O)CCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
PDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 1.12E+3n/an/an/an/an/a



Instituto Politécnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to rat CYP2B1


Eur J Med Chem 45: 4845-55 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.055
More data for this
Ligand-Target Pair