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: 2 PDB IDs match 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)	Ligand	Target/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	pH	Temp °C
Carbonic anhydrase 3 (CA III) (Bos taurus (Cattle))	BDBM36071 ((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 GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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 25°C using a s...				J Enzyme Inhib Med Chem 27: 845-8 (2012) Article DOI: 10.3109/14756366.2011.621122 BindingDB Entry DOI: 10.7270/Q27P8X9X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM36071 ((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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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 25°C using a spect...				J Enzyme Inhib Med Chem 27: 148-54 (2012) Article DOI: 10.3109/14756366.2011.629198 BindingDB Entry DOI: 10.7270/Q2M907JC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM36071 ((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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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 25°C using a s...				J Enzyme Inhib Med Chem 27: 845-8 (2012) Article DOI: 10.3109/14756366.2011.621122 BindingDB Entry DOI: 10.7270/Q27P8X9X
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM36071 ((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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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 25°C using a spect...				J Enzyme Inhib Med Chem 27: 148-54 (2012) Article DOI: 10.3109/14756366.2011.629198 BindingDB Entry DOI: 10.7270/Q2M907JC
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM36071 ((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 GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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 25°C using a spect...				J Enzyme Inhib Med Chem 27: 148-54 (2012) Article DOI: 10.3109/14756366.2011.629198 BindingDB Entry DOI: 10.7270/Q2M907JC
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM36071 ((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 GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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 25°C using a s...				J Enzyme Inhib Med Chem 27: 845-8 (2012) Article DOI: 10.3109/14756366.2011.621122 BindingDB Entry DOI: 10.7270/Q27P8X9X
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM36071 ((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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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 25°C using a s...				J Enzyme Inhib Med Chem 27: 845-8 (2012) Article DOI: 10.3109/14756366.2011.621122 BindingDB Entry DOI: 10.7270/Q27P8X9X
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM36071 ((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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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 25°C using a spect...				J Enzyme Inhib Med Chem 27: 148-54 (2012) Article DOI: 10.3109/14756366.2011.629198 BindingDB Entry DOI: 10.7270/Q2M907JC
					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 K	pH	Temp °C
BDBM11	BDBM36071	CHEBI KEGG MMDB PC cid PC sid PDB	CHEBI KEGG PC cid PC sid PDB		-2.63	-1.68	-0.951	1.93	6.90	25
Japan Science and Technology Agency					J Am Chem Soc 122: 4418-35 (2000)