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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Subtilisin' AND taxid = 1402   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Subtilisin


(Bacillus licheniformis)
BDBM50067887
PNG
(3-NITROPHENYLBORONIC ACID | 3-Nitro-phenyl-1-dihyd...)
Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
PDB
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Article
8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM50282564
PNG
(2,4-Dichlorophenyl boronic acid | 2,4-dichloro ben...)
Show SMILES OB(O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C6H5BCl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
PDB
MMDB

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CHEMBL
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Article
1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM50282562
PNG
(2-(4Chlorophenyl)ethyl boronic acid | Boronic acid...)
Show SMILES OB(O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C8H10BClO2/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-4,11-12H,5-6H2
PDB
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CHEMBL
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UniChem
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Article
1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM50067892
PNG
(4-Bromophenyl-boronic acid | 4-bromo phenyl boroni...)
Show SMILES OB(O)c1ccc(Br)cc1
Show InChI InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
PDB
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UniProtKB/SwissProt

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Article
2.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM26126
PNG
((3-phenylphenyl)boranediol | Phenylboronic Acid, 5)
Show SMILES OB(O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
PDB
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Article
3.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM50288130
PNG
(Boronic acid derivative | CHEMBL79870)
Show SMILES COc1ccc(CCB(O)O)cc1
Show InChI InChI=1S/C9H13BO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-5,11-12H,6-7H2,1H3
PDB
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CHEMBL
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UniChem
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Article
5.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM50067906
PNG
((3-aminophenyl)boronic acid, 1 | 3-aminophenyl bor...)
Show SMILES Nc1cccc(c1)B(O)O
Show InChI InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
PDB
MMDB

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Article
7.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
PDB
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Article
1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM50282563
PNG
(2-(2-Naphthyl)ethyl boronic acid | Boronic acid de...)
Show SMILES OB(O)CCc1ccc2ccccc2c1
Show InChI InChI=1S/C12H13BO2/c14-13(15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,14-15H,7-8H2
PDB
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CHEMBL
PC cid
PC sid
UniChem

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Article
1.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM26133
PNG
((4-methoxyphenyl)boranediol | CHEMBL21427 | Phenyl...)
Show SMILES COc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
PDB
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CHEMBL
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PC sid
UniChem

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Article
1.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair
Subtilisin


(Bacillus licheniformis)
BDBM26142
PNG
((2-phenylethyl)boranediol | Alkylboronic Acid, 21)
Show SMILES OB(O)CCc1ccccc1
Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

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AffyNet 
Article
2.57E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus


Citation and Details
More data for this
Ligand-Target Pair