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BDBM50246110 3-(2,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide::CHEMBL472569

SMILES: COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccc(O)cc2O)cc1

InChI Key: InChIKey=FFTLDDJXCOXDAJ-UHFFFAOYNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50246110   
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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50246110
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-N-(4-m...)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccc(O)cc2O)cc1
Show InChI InChI=1/C23H21N3O4S/c1-30-18-9-4-15(5-10-18)24-23(31)26-21(14-2-6-16(27)7-3-14)13-20(25-26)19-11-8-17(28)12-22(19)29/h2-12,21,27-29H,13H2,1H3,(H,24,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.96E+4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50246110
PNG
(3-(2,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)-N-(4-m...)
Show SMILES COc1ccc(NC(=S)N2N=C(CC2c2ccc(O)cc2)c2ccc(O)cc2O)cc1
Show InChI InChI=1/C23H21N3O4S/c1-30-18-9-4-15(5-10-18)24-23(31)26-21(14-2-6-16(27)7-3-14)13-20(25-26)19-11-8-17(28)12-22(19)29/h2-12,21,27-29H,13H2,1H3,(H,24,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.56E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.084
BindingDB Entry DOI: 10.7270/Q2GT5N1F
More data for this
Ligand-Target Pair