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]1OC(C)=O

InChI Key: InChIKey=GZXJSBLSJIPTHM-CDJZJNNCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50366075   

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 14 (Homo sapiens (Human))	BDBM50366075 (CHEMBL1956749) 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]1OC(C)=O |r| Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/t18-,19+,20+,21-,22-/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 12 (Homo sapiens (Human))	BDBM50366075 (CHEMBL1956749) 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]1OC(C)=O |r| Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/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	8.80	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 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 1 (Homo sapiens (Human))	BDBM50366075 (CHEMBL1956749) 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]1OC(C)=O |r| Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/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	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366075 (CHEMBL1956749) 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]1OC(C)=O |r| Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/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	297	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))	BDBM50366075 (CHEMBL1956749) 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]1OC(C)=O |r| Show InChI InChI=1S/C23H31N3O11S2/c1-12(27)33-11-18-19(34-13(2)28)20(35-14(3)29)21(36-15(4)30)22(37-18)26-23(38)25-10-9-16-5-7-17(8-6-16)39(24,31)32/h5-8,18-22H,9-11H2,1-4H3,(H2,24,31,32)(H2,25,26,38)/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	433	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