BDBM50082756 CHEMBL3423257

SMILES: NS(=O)(=O)c1ccc(CC\N=C/c2cc(Cl)cc(Cl)c2O)cc1

InChI Key: InChIKey=SIBYUKZOULUJCG-OCKHKDLRSA-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 = 50082756   

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 9 (Homo sapiens (Human))	BDBM50082756 (CHEMBL3423257) Show SMILES NS(=O)(=O)c1ccc(CC\N=C/c2cc(Cl)cc(Cl)c2O)cc1 Show InChI InChI=1S/C15H14Cl2N2O3S/c16-12-7-11(15(20)14(17)8-12)9-19-6-5-10-1-3-13(4-2-10)23(18,21)22/h1-4,7-9,20H,5-6H2,(H2,18,21,22)/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	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 2 (Homo sapiens (Human))	BDBM50082756 (CHEMBL3423257) Show SMILES NS(=O)(=O)c1ccc(CC\N=C/c2cc(Cl)cc(Cl)c2O)cc1 Show InChI InChI=1S/C15H14Cl2N2O3S/c16-12-7-11(15(20)14(17)8-12)9-19-6-5-10-1-3-13(4-2-10)23(18,21)22/h1-4,7-9,20H,5-6H2,(H2,18,21,22)/b19-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	277	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 1 (Homo sapiens (Human))	BDBM50082756 (CHEMBL3423257) Show SMILES NS(=O)(=O)c1ccc(CC\N=C/c2cc(Cl)cc(Cl)c2O)cc1 Show InChI InChI=1S/C15H14Cl2N2O3S/c16-12-7-11(15(20)14(17)8-12)9-19-6-5-10-1-3-13(4-2-10)23(18,21)22/h1-4,7-9,20H,5-6H2,(H2,18,21,22)/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	454	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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50082756 (CHEMBL3423257) Show SMILES NS(=O)(=O)c1ccc(CC\N=C/c2cc(Cl)cc(Cl)c2O)cc1 Show InChI InChI=1S/C15H14Cl2N2O3S/c16-12-7-11(15(20)14(17)8-12)9-19-6-5-10-1-3-13(4-2-10)23(18,21)22/h1-4,7-9,20H,5-6H2,(H2,18,21,22)/b19-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+3	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