BDBM50146822 CHEMBL3763387

SMILES: NS(=O)(=O)c1ccc(cc1)-c1cccnc1

InChI Key: InChIKey=FGJNMMSBSNRDFJ-UHFFFAOYSA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50146822   

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))	BDBM50146822 (CHEMBL3763387) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50146822 (CHEMBL3763387) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50146822 (CHEMBL3763387) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50146822 (CHEMBL3763387) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair