BDBM50112762 CHEMBL3609437

SMILES: NOS(=O)(=O)NC1O[C@H](CO)[C@H](O)C=C1

InChI Key: InChIKey=LPNRCTNMIYFOQG-QYRBDRAASA-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 = 50112762   

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))	BDBM50112762 (CHEMBL3609437) Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@H](O)C=C1 |r,c:13| Show InChI InChI=1S/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5-,6?/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	61	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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50112762 (CHEMBL3609437) Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@H](O)C=C1 |r,c:13| Show InChI InChI=1S/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5-,6?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	80	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 2 (Homo sapiens (Human))	BDBM50112762 (CHEMBL3609437) Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@H](O)C=C1 |r,c:13| Show InChI InChI=1S/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5-,6?/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	217	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 1 (Homo sapiens (Human))	BDBM50112762 (CHEMBL3609437) Show SMILES NOS(=O)(=O)NC1O[C@H](CO)[C@H](O)C=C1 |r,c:13| Show InChI InChI=1S/C6H12N2O6S/c7-14-15(11,12)8-6-2-1-4(10)5(3-9)13-6/h1-2,4-6,8-10H,3,7H2/t4-,5-,6?/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	250	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