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
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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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 |
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) |