BDBM50426824 CHEMBL2323139

SMILES: OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=AKXOYOOJKIDBRC-XFIYOXNOSA-N

Data: 13 KI

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 13 hits for monomerid = 50426824   

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 2 (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Rosario Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow assay				Bioorg Med Chem Lett 23: 740-3 (2013) Article DOI: 10.1016/j.bmcl.2012.11.085 BindingDB Entry DOI: 10.7270/Q2N58NP3
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50426824 (CHEMBL2323139) Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1489-94 (2013) Article DOI: 10.1016/j.bmc.2012.09.002 BindingDB Entry DOI: 10.7270/Q2D21ZZJ
					More data for this Ligand-Target Pair