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4 similar compounds to monomer 8

Wt: 100.1
BDBM5
Purchase
Wt: 116.1
BDBM36071
Purchase
Wt: 116.1
BDBM36072
Purchase
Wt: 216.3
BDBM50358405

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 5,36071,36072,50358405   
Target
(Institution)
LigandTarget
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
Carbonic anhydrase 3 (CA III)


(Bos taurus (Cattle))
BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
UniProtKB/SwissProt

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Article
PubMed
4.28E+3n/an/an/an/an/an/an/an/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
Article
PubMed
4.68E+3n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 148-54 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
PDB
MMDB

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Article
PubMed
4.72E+3n/an/an/an/an/an/an/an/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
PDB
MMDB

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Article
PubMed
1.88E+4n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 148-54 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
UniProtKB/SwissProt

antibodypedia
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Article
PubMed
7.62E+4n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 148-54 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
7.62E+4n/an/an/an/an/an/an/an/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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UniChem

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AffyNet 
Article
PubMed
1.35E+5n/an/an/an/an/an/an/an/a



Ondokuz Mayis University



Assay Description
The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a s...


J Enzyme Inhib Med Chem 27: 845-8 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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KEGG
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UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.35E+5n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 148-54 (2012)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358405
PNG
(CHEMBL1922857)
Show SMILES CCCCCCCCCC(O)C(O)CC
Show InChI InChI=1S/C13H28O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12-15H,3-11H2,1-2H3
KEGG

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Article
PubMed
n/an/an/an/a 4.30E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 32 hits for monomerid = 5,36071,36072,50358405
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM5
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-2.48-0.138-2.391.896.9014.9



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM4
JPEG
BDBM5
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-2.510.211-2.681.866.9020.7



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM4
JPEG
BDBM5
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-2.440.640-3.061.796.9024.8



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM4
JPEG
BDBM5
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-2.410.783-3.181.766.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM4
JPEG
BDBM5
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-2.440.869-3.301.766.9029.9



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM4
JPEG
BDBM5
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-2.391.25-3.681.706.9035.1



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.66-1.172.896.9020



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.28-1.602.866.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.89-2.35-1.582.856.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.92-2.35-1.552.866.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.28-1.602.846.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.89-2.35-1.582.856.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.94-2.03-1.962.846.9030



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.92-1.62-2.362.786.9035



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM36071
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-2.63-1.68-0.9511.936.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36072
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.64-1.63-1.011.936.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.88-2.36-1.502.856.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.85-3.17-0.6802.936.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.33-1.552.846.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.91-1.58-2.342.776.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.95-0.859-3.102.716.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM36127
JPEG
BDBM5
JPEG
CHEBI
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.68-2.29-1.382.706.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.88-2.36-1.502.856.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.92-2.49-1.432.876.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.81-2.34-1.482.806.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.54-1.332.846.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.88-2.44-1.452.857.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36267
JPEG
BDBM5
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.98-2.54-1.452.927.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36268
JPEG
BDBM5
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-4.07-3.60-0.4802.987.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36269
JPEG
BDBM5
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-4.31-3.49-0.8223.167.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36270
JPEG
BDBM5
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-4.38-3.56-0.8223.217.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM36271
JPEG
BDBM5
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-4.22-2.83-1.393.107.2025



Nankai University





J Org Chem 69: 173-80 (2004)