BDBM50231538 CHEMBL4102368

SMILES: CC(=O)Nc1onc(C)c1-c1ccc(C)c(c1)S(N)(=O)=O

InChI Key: InChIKey=VFVPVDQFWVJTRP-UHFFFAOYSA-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 = 50231538   

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 4 (Homo sapiens (Human))	BDBM50231538 (CHEMBL4102368) Show SMILES CC(=O)Nc1onc(C)c1-c1ccc(C)c(c1)S(N)(=O)=O Show InChI InChI=1S/C13H15N3O4S/c1-7-4-5-10(6-11(7)21(14,18)19)12-8(2)16-20-13(12)15-9(3)17/h4-6H,1-3H3,(H,15,17)(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-4 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated...				Bioorg Med Chem 25: 1914-1925 (2017) BindingDB Entry DOI: 10.7270/Q2ZP48CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50231538 (CHEMBL4102368) Show SMILES CC(=O)Nc1onc(C)c1-c1ccc(C)c(c1)S(N)(=O)=O Show InChI InChI=1S/C13H15N3O4S/c1-7-4-5-10(6-11(7)21(14,18)19)12-8(2)16-20-13(12)15-9(3)17/h4-6H,1-3H3,(H,15,17)(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated...				Bioorg Med Chem 25: 1914-1925 (2017) BindingDB Entry DOI: 10.7270/Q2ZP48CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50231538 (CHEMBL4102368) Show SMILES CC(=O)Nc1onc(C)c1-c1ccc(C)c(c1)S(N)(=O)=O Show InChI InChI=1S/C13H15N3O4S/c1-7-4-5-10(6-11(7)21(14,18)19)12-8(2)16-20-13(12)15-9(3)17/h4-6H,1-3H3,(H,15,17)(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated...				Bioorg Med Chem 25: 1914-1925 (2017) BindingDB Entry DOI: 10.7270/Q2ZP48CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50231538 (CHEMBL4102368) Show SMILES CC(=O)Nc1onc(C)c1-c1ccc(C)c(c1)S(N)(=O)=O Show InChI InChI=1S/C13H15N3O4S/c1-7-4-5-10(6-11(7)21(14,18)19)12-8(2)16-20-13(12)15-9(3)17/h4-6H,1-3H3,(H,15,17)(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated...				Bioorg Med Chem 25: 1914-1925 (2017) BindingDB Entry DOI: 10.7270/Q2ZP48CZ
					More data for this Ligand-Target Pair