null

SMILES: NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl

InChI Key: InChIKey=VYRYQYXOELMZNW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50019535   

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))	BDBM50019535 (CHEMBL3291103) Show SMILES NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl Show InChI InChI=1S/C14H20Cl2N4O4S/c15-10-8-11(16)13(25(17,22)23)9-12(10)19-14(21)18-2-1-3-20-4-6-24-7-5-20/h8-9H,1-7H2,(H2,17,22,23)(H2,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50019535 (CHEMBL3291103) Show SMILES NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl Show InChI InChI=1S/C14H20Cl2N4O4S/c15-10-8-11(16)13(25(17,22)23)9-12(10)19-14(21)18-2-1-3-20-4-6-24-7-5-20/h8-9H,1-7H2,(H2,17,22,23)(H2,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydr...				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50019535 (CHEMBL3291103) Show SMILES NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl Show InChI InChI=1S/C14H20Cl2N4O4S/c15-10-8-11(16)13(25(17,22)23)9-12(10)19-14(21)18-2-1-3-20-4-6-24-7-5-20/h8-9H,1-7H2,(H2,17,22,23)(H2,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50019535 (CHEMBL3291103) Show SMILES NS(=O)(=O)c1cc(NC(=O)NCCCN2CCOCC2)c(Cl)cc1Cl Show InChI InChI=1S/C14H20Cl2N4O4S/c15-10-8-11(16)13(25(17,22)23)9-12(10)19-14(21)18-2-1-3-20-4-6-24-7-5-20/h8-9H,1-7H2,(H2,17,22,23)(H2,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
					More data for this Ligand-Target Pair