BDBM50508880 CHEMBL4538681

SMILES: NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1

InChI Key: InChIKey=QMMJSZNDYYVMMB-NBVRZTHBSA-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 = 50508880   

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 2 (Homo sapiens (Human))	BDBM50508880 (CHEMBL4538681) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50508880 (CHEMBL4538681) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50508880 (CHEMBL4538681) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50508880 (CHEMBL4538681) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282
					More data for this Ligand-Target Pair