null

SMILES: CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChI Key: InChIKey=LOAPLXPIJMQWJM-BDHVOXNPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50314544   

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))	BDBM50314544 (CHEMBL1091779 | N-4-(Aminosulfonyl)phenethyl-S-(2,...) Show SMILES CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H30N2O11S2/c1-12(25)31-11-18-19(32-13(2)26)20(33-14(3)27)21(34-15(4)28)22(35-18)36-24-10-9-16-5-7-17(8-6-16)37(23,29)30/h5-8,18-22,24H,9-11H2,1-4H3,(H2,23,29,30)/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.6	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 recombinant CA12 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50314544 (CHEMBL1091779 | N-4-(Aminosulfonyl)phenethyl-S-(2,...) Show SMILES CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H30N2O11S2/c1-12(25)31-11-18-19(32-13(2)26)20(33-14(3)27)21(34-15(4)28)22(35-18)36-24-10-9-16-5-7-17(8-6-16)37(23,29)30/h5-8,18-22,24H,9-11H2,1-4H3,(H2,23,29,30)/t18-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.5	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 recombinant CA2 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50314544 (CHEMBL1091779 | N-4-(Aminosulfonyl)phenethyl-S-(2,...) Show SMILES CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H30N2O11S2/c1-12(25)31-11-18-19(32-13(2)26)20(33-14(3)27)21(34-15(4)28)22(35-18)36-24-10-9-16-5-7-17(8-6-16)37(23,29)30/h5-8,18-22,24H,9-11H2,1-4H3,(H2,23,29,30)/t18-,19-,20+,21-,22+/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	97	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 recombinant CA9 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50314544 (CHEMBL1091779 | N-4-(Aminosulfonyl)phenethyl-S-(2,...) Show SMILES CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H30N2O11S2/c1-12(25)31-11-18-19(32-13(2)26)20(33-14(3)27)21(34-15(4)28)22(35-18)36-24-10-9-16-5-7-17(8-6-16)37(23,29)30/h5-8,18-22,24H,9-11H2,1-4H3,(H2,23,29,30)/t18-,19-,20+,21-,22+/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	3.89E+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 recombinant CA1 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair