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BDBM50282866 4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL296159

SMILES: CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O

InChI Key: InChIKey=BRXAESJVOUJKPO-UHFFFAOYSA-N

Data: 4 KI  1 Koff  6 Kon

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 8 hits for monomerid = 50282866   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant


Bioorg Med Chem Lett 4: 1801-1806 (1994)


Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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2n/an/an/an/an/a 6.30E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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20n/an/an/an/an/a 1.30E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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UniChem
Article
n/an/an/an/an/an/a 6.30E+4n/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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n/an/an/an/an/a 0.000130 6.32E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human leukocyte elastase (HLE)


Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
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Reactome pathway
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UniProtKB/SwissProt

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PC sid
UniChem
Article
n/an/an/an/an/an/a 6.32E+4n/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 331-336 (1995)


Article DOI: 10.1016/0960-894X(95)00030-W
BindingDB Entry DOI: 10.7270/Q2SX6D60
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50282866
PNG
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)
Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/an/an/an/a 1.30E+3n/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair