BDBM50465663 CHEMBL4292591

SMILES: NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2Cl)c1

InChI Key: InChIKey=QFLAGELTZRUHMY-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 = 50465663   

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 (Homo sapiens (Human))	BDBM50465663 (CHEMBL4292591) Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-3-1-2-4-10(9)16-13(19)17-11-7-8(22(15,20)21)5-6-12(11)18/h1-7,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human CA12 assessed as enzyme inhibitor complex formation preincubated for 15 mins and measured for 10 to 100 secs by phenol red dye ba...				J Med Chem 61: 6328-6338 (2018) Article DOI: 10.1021/acs.jmedchem.8b00770 BindingDB Entry DOI: 10.7270/Q2639SDT
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50465663 (CHEMBL4292591) Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-3-1-2-4-10(9)16-13(19)17-11-7-8(22(15,20)21)5-6-12(11)18/h1-7,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human CA9 assessed as enzyme inhibitor complex formation preincubated for 15 mins and measured for 10 to 100 secs by phenol red dye bas...				J Med Chem 61: 6328-6338 (2018) Article DOI: 10.1021/acs.jmedchem.8b00770 BindingDB Entry DOI: 10.7270/Q2639SDT
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50465663 (CHEMBL4292591) Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-3-1-2-4-10(9)16-13(19)17-11-7-8(22(15,20)21)5-6-12(11)18/h1-7,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human CA1 assessed as enzyme inhibitor complex formation preincubated for 15 mins and measured for 10 to 100 secs by phenol red dye bas...				J Med Chem 61: 6328-6338 (2018) Article DOI: 10.1021/acs.jmedchem.8b00770 BindingDB Entry DOI: 10.7270/Q2639SDT
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50465663 (CHEMBL4292591) Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-3-1-2-4-10(9)16-13(19)17-11-7-8(22(15,20)21)5-6-12(11)18/h1-7,18H,(H2,15,20,21)(H2,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	369	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human CA2 assessed as enzyme inhibitor complex formation preincubated for 15 mins and measured for 10 to 100 secs by phenol red dye bas...				J Med Chem 61: 6328-6338 (2018) Article DOI: 10.1021/acs.jmedchem.8b00770 BindingDB Entry DOI: 10.7270/Q2639SDT
					More data for this Ligand-Target Pair