BindingDB logo
myBDB logout

BDBM50105821 4-Amino-N-ethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide::CHEMBL330871

SMILES: CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=FBOMGZSDZMQJJV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50105821   
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 2C19


(Homo sapiens (Human))
BDBM50105821
PNG
(4-Amino-N-ethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benze...)
Show SMILES CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C17H18N4O2S/c1-2-20(24(22,23)16-10-8-14(18)9-11-16)17-12-13-19-21(17)15-6-4-3-5-7-15/h3-13H,2,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.25E+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)


BindingDB Entry DOI: 10.7270/Q20Z72KC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50105821
PNG
(4-Amino-N-ethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benze...)
Show SMILES CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C17H18N4O2S/c1-2-20(24(22,23)16-10-8-14(18)9-11-16)17-12-13-19-21(17)15-6-4-3-5-7-15/h3-13H,2,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.00E+4n/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)


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


(Homo sapiens (Human))
BDBM50105821
PNG
(4-Amino-N-ethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benze...)
Show SMILES CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C17H18N4O2S/c1-2-20(24(22,23)16-10-8-14(18)9-11-16)17-12-13-19-21(17)15-6-4-3-5-7-15/h3-13H,2,18H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.00E+3n/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)


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


(Homo sapiens (Human))
BDBM50105821
PNG
(4-Amino-N-ethyl-N-(2-phenyl-2H-pyrazol-3-yl)-benze...)
Show SMILES CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C17H18N4O2S/c1-2-20(24(22,23)16-10-8-14(18)9-11-16)17-12-13-19-21(17)15-6-4-3-5-7-15/h3-13H,2,18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.30E+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)


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