BDBM50428399 4-(Allylamino)Benzenesulfonamide::CHEMBL2333964

SMILES: NS(=O)(=O)c1ccc(NCC=C)cc1

InChI Key: InChIKey=VAJTTWBJPRHZLF-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 = 50428399   

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 12 (Homo sapiens (Human))	BDBM50428399 (4-(Allylamino)Benzenesulfonamide | CHEMBL2333964) Show SMILES NS(=O)(=O)c1ccc(NCC=C)cc1 Show InChI InChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	966	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428399 (4-(Allylamino)Benzenesulfonamide | CHEMBL2333964) Show SMILES NS(=O)(=O)c1ccc(NCC=C)cc1 Show InChI InChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50428399 (4-(Allylamino)Benzenesulfonamide | CHEMBL2333964) Show SMILES NS(=O)(=O)c1ccc(NCC=C)cc1 Show InChI InChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428399 (4-(Allylamino)Benzenesulfonamide | CHEMBL2333964) Show SMILES NS(=O)(=O)c1ccc(NCC=C)cc1 Show InChI InChI=1S/C9H12N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h2-6,11H,1,7H2,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair