BDBM50035171 CHEMBL3343181

SMILES: C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O

InChI Key: InChIKey=AFDWFAFWWAVMNU-LSBSRIOGSA-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 = 50035171   

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))	BDBM50035171 (CHEMBL3343181) Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:10| Show InChI InChI=1S/C8H14N2O6S/c1-5-7(16-6(2)11)3-4-8(15-5)9-17(13,14)10-12/h3-5,7-10,12H,1-2H3/t5-,7+,8?/m0/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	47	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 recombinant CA9 catalytic domain by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 6353-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.053 BindingDB Entry DOI: 10.7270/Q2VD713X
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50035171 (CHEMBL3343181) Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:10| Show InChI InChI=1S/C8H14N2O6S/c1-5-7(16-6(2)11)3-4-8(15-5)9-17(13,14)10-12/h3-5,7-10,12H,1-2H3/t5-,7+,8?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	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 recombinant CA12 catalytic domain by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 6353-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.053 BindingDB Entry DOI: 10.7270/Q2VD713X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50035171 (CHEMBL3343181) Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:10| Show InChI InChI=1S/C8H14N2O6S/c1-5-7(16-6(2)11)3-4-8(15-5)9-17(13,14)10-12/h3-5,7-10,12H,1-2H3/t5-,7+,8?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	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 full length CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 6353-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.053 BindingDB Entry DOI: 10.7270/Q2VD713X
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50035171 (CHEMBL3343181) Show SMILES C[C@@H]1OC(NS(=O)(=O)NO)C=C[C@H]1OC(C)=O |r,c:10| Show InChI InChI=1S/C8H14N2O6S/c1-5-7(16-6(2)11)3-4-8(15-5)9-17(13,14)10-12/h3-5,7-10,12H,1-2H3/t5-,7+,8?/m0/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	>1.00E+4	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 full length CA1 by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 6353-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.053 BindingDB Entry DOI: 10.7270/Q2VD713X
					More data for this Ligand-Target Pair