null

SMILES: CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(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=HIPPBEHEOAILBH-CCHDLNLLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50366047   

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 12 (Homo sapiens (Human))	BDBM50366047 (CHEMBL1956753) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(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/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	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))	BDBM50366047 (CHEMBL1956753) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(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/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	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 2 (Homo sapiens (Human))	BDBM50366047 (CHEMBL1956753) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(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/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	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 9 (Homo sapiens (Human))	BDBM50366047 (CHEMBL1956753) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(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/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/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	122	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 1 (Homo sapiens (Human))	BDBM50366047 (CHEMBL1956753) Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=S)NCCc2ccc(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/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/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	3.72E+3	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