BDBM50349116 CHEMBL1807505

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

InChI Key: InChIKey=QDXNZJRRIRRKCU-DDHJBXDOSA-N

Data: 5 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 5 hits for monomerid = 50349116   

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))	BDBM50349116 (CHEMBL1807505) Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r| Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,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	7.80	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))	BDBM50349116 (CHEMBL1807505) Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r| Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,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	11	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 9 (Homo sapiens (Human))	BDBM50349116 (CHEMBL1807505) Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r| Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,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	16	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 1 (Homo sapiens (Human))	BDBM50349116 (CHEMBL1807505) Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r| Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,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	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1419-26 (2013) Article DOI: 10.1016/j.bmc.2012.10.043 BindingDB Entry DOI: 10.7270/Q2FT8ND6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50349116 (CHEMBL1807505) Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r| Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,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	830	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