BDBM50112784 CHEMBL3609433

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

InChI Key: InChIKey=CRUYXMZMQKLMJW-MGRQHWMJSA-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 = 50112784   

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 2 (Homo sapiens (Human))	BDBM50112784 (CHEMBL3609433) Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:14| Show InChI InChI=1S/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 819-21 (2015) BindingDB Entry DOI: 10.7270/Q2NZ89D9
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50112784 (CHEMBL3609433) Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:14| Show InChI InChI=1S/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 819-21 (2015) BindingDB Entry DOI: 10.7270/Q2NZ89D9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50112784 (CHEMBL3609433) Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:14| Show InChI InChI=1S/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9-,10?/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	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 819-21 (2015) BindingDB Entry DOI: 10.7270/Q2NZ89D9
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50112784 (CHEMBL3609433) Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@H]1OC(C)=O |r,c:14| Show InChI InChI=1S/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9-,10?/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	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 819-21 (2015) BindingDB Entry DOI: 10.7270/Q2NZ89D9
					More data for this Ligand-Target Pair