null

SMILES: CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

InChI Key: InChIKey=DPKJCZARKQYRBH-TZDACTGUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50366049   

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 9 (Homo sapiens (Human))	BDBM50366049 (CHEMBL1956755) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366049 (CHEMBL1956755) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50366049 (CHEMBL1956755) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50366049 (CHEMBL1956755) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50366049 (CHEMBL1956755) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C33H43N3O19S2/c1-14(37)46-12-23-26(55-32-30(52-20(7)43)28(50-18(5)41)25(48-16(3)39)24(54-32)13-47-15(2)38)27(49-17(4)40)29(51-19(6)42)31(53-23)36-33(56)35-21-8-10-22(11-9-21)57(34,44)45/h8-11,23-32H,12-13H2,1-7H3,(H2,34,44,45)(H2,35,36,56)/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair