null

SMILES: CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(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=VTHZQPKHTWURQR-LZWHNZSHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50366050   

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))	BDBM50366050 (CHEMBL1956756) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(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/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/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	7.30	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 12 (Homo sapiens (Human))	BDBM50366050 (CHEMBL1956756) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(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/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	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))	BDBM50366050 (CHEMBL1956756) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(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/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	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 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))	BDBM50366050 (CHEMBL1956756) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(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/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/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	110	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366050 (CHEMBL1956756) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCc2ccc(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/C34H45N3O19S2/c1-15(38)47-13-24-27(56-33-31(53-21(7)44)29(51-19(5)42)26(49-17(3)40)25(55-33)14-48-16(2)39)28(50-18(4)41)30(52-20(6)43)32(54-24)37-34(57)36-12-22-8-10-23(11-9-22)58(35,45)46/h8-11,24-33H,12-14H2,1-7H3,(H2,35,45,46)(H2,36,37,57)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	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