BDBM50349111 CHEMBL1807499

SMILES: C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChI Key: InChIKey=JFIRXDUJACLDQX-FSVXGXJESA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50349111   

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))	BDBM50349111 (CHEMBL1807499) Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins				Bioorg Med Chem Lett 21: 4447-50 (2011) Article DOI: 10.1016/j.bmcl.2011.06.031 BindingDB Entry DOI: 10.7270/Q2M9091G
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50349111 (CHEMBL1807499) Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins				Bioorg Med Chem Lett 21: 4447-50 (2011) Article DOI: 10.1016/j.bmcl.2011.06.031 BindingDB Entry DOI: 10.7270/Q2M9091G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50349111 (CHEMBL1807499) Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins				Bioorg Med Chem Lett 21: 4447-50 (2011) Article DOI: 10.1016/j.bmcl.2011.06.031 BindingDB Entry DOI: 10.7270/Q2M9091G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50349111 (CHEMBL1807499) Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins				Bioorg Med Chem Lett 21: 4447-50 (2011) Article DOI: 10.1016/j.bmcl.2011.06.031 BindingDB Entry DOI: 10.7270/Q2M9091G
					More data for this Ligand-Target Pair