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BDBM36071 (1R,2R)-trans-1,2-cyclohexanediol::trans-(1R(S),2R(S))-cyclohexane-1,2-diol (10)

SMILES: O[C@@H]1CCCC[C@H]1O

InChI Key: InChIKey=PFURGBBHAOXLIO-PHDIDXHHSA-N

Data: 8 KI  1 ITC

PDB links: 1 PDB ID matches this monomer.

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 = 36071   
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
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
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PubMed
4.28E+3n/an/an/an/an/an/a7.4n/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)


Article DOI: 10.3109/14756366.2011.621122
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
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4.68E+3n/an/an/an/an/an/a7.4n/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)


Article DOI: 10.3109/14756366.2011.629198
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
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4.72E+3n/an/an/an/an/an/a7.4n/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)


Article DOI: 10.3109/14756366.2011.621122
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
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1.88E+4n/an/an/an/an/an/a7.4n/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)


Article DOI: 10.3109/14756366.2011.629198
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
PDB

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Article
PubMed
7.62E+4n/an/an/an/an/an/a7.4n/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)


Article DOI: 10.3109/14756366.2011.629198
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
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
7.62E+4n/an/an/an/an/an/a7.4n/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)


Article DOI: 10.3109/14756366.2011.621122
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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
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Article
PubMed
1.35E+5n/an/an/an/an/an/a7.4n/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)


Article DOI: 10.3109/14756366.2011.621122
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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
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Article
PubMed
1.35E+5n/an/an/an/an/an/a7.4n/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)


Article DOI: 10.3109/14756366.2011.629198
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36071
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
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)