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SMILES: COc1ccc(CCB(O)O)cc1

InChI Key: InChIKey=RWPNEJOLOHADOQ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50288130   
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
Subtilisin Carlsberg


(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
MMDB

UniProtKB/SwissProt

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


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin BL


(Bacillus lentus)
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
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2.19E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin BL


(Bacillus lentus)
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
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
3.14E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL M222C-mutated enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin BL


(Bacillus lentus)
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
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
9.86E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus


Bioorg Med Chem Lett 6: 2501-2506 (1996)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair