BDBM50082766 CHEMBL3423265

SMILES: NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1

InChI Key: InChIKey=CTWKYSIRGHULKI-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 = 50082766   

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))	BDBM50082766 (CHEMBL3423265) Show SMILES NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1 Show InChI InChI=1S/C15H17ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic form of carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 25: 2377-81 (2015) Article DOI: 10.1016/j.bmcl.2015.04.007 BindingDB Entry DOI: 10.7270/Q20G3MWP
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50082766 (CHEMBL3423265) Show SMILES NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1 Show InChI InChI=1S/C15H17ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...				Bioorg Med Chem Lett 25: 2377-81 (2015) Article DOI: 10.1016/j.bmcl.2015.04.007 BindingDB Entry DOI: 10.7270/Q20G3MWP
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50082766 (CHEMBL3423265) Show SMILES NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1 Show InChI InChI=1S/C15H17ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...				Bioorg Med Chem Lett 25: 2377-81 (2015) Article DOI: 10.1016/j.bmcl.2015.04.007 BindingDB Entry DOI: 10.7270/Q20G3MWP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50082766 (CHEMBL3423265) Show SMILES NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1 Show InChI InChI=1S/C15H17ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic form of carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 25: 2377-81 (2015) Article DOI: 10.1016/j.bmcl.2015.04.007 BindingDB Entry DOI: 10.7270/Q20G3MWP
					More data for this Ligand-Target Pair