BDBM50082755 CHEMBL3423256

SMILES: NS(=O)(=O)c1ccc(CC\N=C/c2ccc(OCc3ccccc3)cc2)cc1

InChI Key: InChIKey=HDRISRPDTWYNRE-JLPGSUDCSA-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 = 50082755   

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))	BDBM50082755 (CHEMBL3423256) Show SMILES NS(=O)(=O)c1ccc(CC\N=C/c2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C22H22N2O3S/c23-28(25,26)22-12-8-18(9-13-22)14-15-24-16-19-6-10-21(11-7-19)27-17-20-4-2-1-3-5-20/h1-13,16H,14-15,17H2,(H2,23,25,26)/b24-16-	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	230	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))	BDBM50082755 (CHEMBL3423256) Show SMILES NS(=O)(=O)c1ccc(CC\N=C/c2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C22H22N2O3S/c23-28(25,26)22-12-8-18(9-13-22)14-15-24-16-19-6-10-21(11-7-19)27-17-20-4-2-1-3-5-20/h1-13,16H,14-15,17H2,(H2,23,25,26)/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	819	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))	BDBM50082755 (CHEMBL3423256) Show SMILES NS(=O)(=O)c1ccc(CC\N=C/c2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C22H22N2O3S/c23-28(25,26)22-12-8-18(9-13-22)14-15-24-16-19-6-10-21(11-7-19)27-17-20-4-2-1-3-5-20/h1-13,16H,14-15,17H2,(H2,23,25,26)/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.47E+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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50082755 (CHEMBL3423256) Show SMILES NS(=O)(=O)c1ccc(CC\N=C/c2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C22H22N2O3S/c23-28(25,26)22-12-8-18(9-13-22)14-15-24-16-19-6-10-21(11-7-19)27-17-20-4-2-1-3-5-20/h1-13,16H,14-15,17H2,(H2,23,25,26)/b24-16-	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	1.70E+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 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