BDBM50035170 CHEMBL3343180

SMILES: CC(=O)O[C@H]1COC(NS(=O)(=O)NO)C=C1

InChI Key: InChIKey=JKBFCQJZPNHHKY-ULUSZKPHSA-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 = 50035170   

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))	BDBM50035170 (CHEMBL3343180) Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14| Show InChI InChI=1S/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/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	44	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))	BDBM50035170 (CHEMBL3343180) Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14| Show InChI InChI=1S/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	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 1 (Homo sapiens (Human))	BDBM50035170 (CHEMBL3343180) Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14| Show InChI InChI=1S/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/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	>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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50035170 (CHEMBL3343180) Show SMILES CC(=O)O[C@H]1COC(NS(=O)(=O)NO)C=C1 |r,c:14| Show InChI InChI=1S/C7H12N2O6S/c1-5(10)15-6-2-3-7(14-4-6)8-16(12,13)9-11/h2-3,6-9,11H,4H2,1H3/t6-,7?/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	>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 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