BDBM50112766 CHEMBL3609439

SMILES: NOS(=O)(=O)NC1OC[C@H](O)C=C1

InChI Key: InChIKey=JGUXCVYNAUAHEG-CNZKWPKMSA-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 = 50112766   

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))	BDBM50112766 (CHEMBL3609439) Show SMILES NOS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11| Show InChI InChI=1S/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	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))	BDBM50112766 (CHEMBL3609439) Show SMILES NOS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11| Show InChI InChI=1S/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	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))	BDBM50112766 (CHEMBL3609439) Show SMILES NOS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11| Show InChI InChI=1S/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/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 Patents Similars	PubMed	64	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))	BDBM50112766 (CHEMBL3609439) Show SMILES NOS(=O)(=O)NC1OC[C@H](O)C=C1 |r,c:11| Show InChI InChI=1S/C5H10N2O5S/c6-12-13(9,10)7-5-2-1-4(8)3-11-5/h1-2,4-5,7-8H,3,6H2/t4-,5?/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 Patents Similars	PubMed	74	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