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BDBM50105819 4-Amino-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide::CHEMBL120825

SMILES: Nc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1

InChI Key: InChIKey=CITJDWIHQHOAFD-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50105819   
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 2C9


(Homo sapiens (Human))
BDBM50105819
PNG
(4-Amino-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C18H20N4O3S/c19-15-7-9-17(10-8-15)26(24,25)21(13-4-14-23)18-11-12-20-22(18)16-5-2-1-3-6-16/h1-3,5-12,23H,4,13-14,19H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C9 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)


Article DOI: 10.1021/jm010861y
BindingDB Entry DOI: 10.7270/Q20Z72KC
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50105819
PNG
(4-Amino-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C18H20N4O3S/c19-15-7-9-17(10-8-15)26(24,25)21(13-4-14-23)18-11-12-20-22(18)16-5-2-1-3-6-16/h1-3,5-12,23H,4,13-14,19H2
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UniChem

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Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C19 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)


Article DOI: 10.1021/jm010861y
BindingDB Entry DOI: 10.7270/Q20Z72KC
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50105819
PNG
(4-Amino-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C18H20N4O3S/c19-15-7-9-17(10-8-15)26(24,25)21(13-4-14-23)18-11-12-20-22(18)16-5-2-1-3-6-16/h1-3,5-12,23H,4,13-14,19H2
PDB

KEGG

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UniChem

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Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver Cytochrome P450 2C8 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)


Article DOI: 10.1021/jm010861y
BindingDB Entry DOI: 10.7270/Q20Z72KC
More data for this
Ligand-Target Pair
Cytochrome P450 2C18


(Homo sapiens (Human))
BDBM50105819
PNG
(4-Amino-N-(3-hydroxy-propyl)-N-(2-phenyl-2H-pyrazo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
Show InChI InChI=1S/C18H20N4O3S/c19-15-7-9-17(10-8-15)26(24,25)21(13-4-14-23)18-11-12-20-22(18)16-5-2-1-3-6-16/h1-3,5-12,23H,4,13-14,19H2
NCI pathway
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Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Université Paris V

Curated by ChEMBL


Assay Description
Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain


J Med Chem 44: 3622-31 (2001)


Article DOI: 10.1021/jm010861y
BindingDB Entry DOI: 10.7270/Q20Z72KC
More data for this
Ligand-Target Pair