BindingDB logo
myBDB logout

BDBM50296431 3-methyl-N-(2-methylphenethyl)-4-(1H-tetrazol-1-yl)benzenesulfonamide::CHEMBL564460

SMILES: Cc1ccccc1CCNS(=O)(=O)c1ccc(c(C)c1)-n1cnnn1

InChI Key: InChIKey=SXSKSEQGJMOFEH-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50296431   
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
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50296431
PNG
(3-methyl-N-(2-methylphenethyl)-4-(1H-tetrazol-1-yl...)
Show SMILES Cc1ccccc1CCNS(=O)(=O)c1ccc(c(C)c1)-n1cnnn1
Show InChI InChI=1S/C17H19N5O2S/c1-13-5-3-4-6-15(13)9-10-19-25(23,24)16-7-8-17(14(2)11-16)22-12-18-20-21-22/h3-8,11-12,19H,9-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.59E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Helicoverpa zea (Corn earworm moth) (Heliothis zea...)
BDBM50296431
PNG
(3-methyl-N-(2-methylphenethyl)-4-(1H-tetrazol-1-yl...)
Show SMILES Cc1ccccc1CCNS(=O)(=O)c1ccc(c(C)c1)-n1cnnn1
Show InChI InChI=1S/C17H19N5O2S/c1-13-5-3-4-6-15(13)9-10-19-25(23,24)16-7-8-17(14(2)11-16)22-12-18-20-21-22/h3-8,11-12,19H,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.80E+4n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50296431
PNG
(3-methyl-N-(2-methylphenethyl)-4-(1H-tetrazol-1-yl...)
Show SMILES Cc1ccccc1CCNS(=O)(=O)c1ccc(c(C)c1)-n1cnnn1
Show InChI InChI=1S/C17H19N5O2S/c1-13-5-3-4-6-15(13)9-10-19-25(23,24)16-7-8-17(14(2)11-16)22-12-18-20-21-22/h3-8,11-12,19H,9-10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.38E+5n/an/an/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A1


Eur J Med Chem 44: 3266-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.034
BindingDB Entry DOI: 10.7270/Q26110C4
More data for this
Ligand-Target Pair