BDBM50167408 4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)benzenesulfonamide::4-({[1-(4-Oxo-4H-chromen-3-yl)-meth-(E)-ylidene]-amino}-methyl)-benzenesulfonamide::CHEMBL197104

SMILES: NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1

InChI Key: InChIKey=AEECELZBHQHFHH-VXLYETTFSA-N

Data: 5 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 5 hits for monomerid = 50167408   

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))	BDBM50167408 (4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)b...) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1 Show InChI InChI=1S/C17H14N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20/h1-8,10-11H,9H2,(H2,18,21,22)/b19-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibition constant against human carbonic anhydrase II				Bioorg Med Chem Lett 15: 3096-101 (2005) Article DOI: 10.1016/j.bmcl.2005.04.055 BindingDB Entry DOI: 10.7270/Q27M07FQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50167408 (4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)b...) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1 Show InChI InChI=1S/C17H14N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20/h1-8,10-11H,9H2,(H2,18,21,22)/b19-10+	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	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibition constant against human carbonic anhydrase I				Bioorg Med Chem Lett 15: 3096-101 (2005) Article DOI: 10.1016/j.bmcl.2005.04.055 BindingDB Entry DOI: 10.7270/Q27M07FQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50167408 (4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)b...) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1 Show InChI InChI=1S/C17H14N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20/h1-8,10-11H,9H2,(H2,18,21,22)/b19-10+	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	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibition constant against human carbonic anhydrase IX				Bioorg Med Chem Lett 15: 3096-101 (2005) Article DOI: 10.1016/j.bmcl.2005.04.055 BindingDB Entry DOI: 10.7270/Q27M07FQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50167408 (4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)b...) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1 Show InChI InChI=1S/C17H14N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20/h1-8,10-11H,9H2,(H2,18,21,22)/b19-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibition constant against human carbonic anhydrase XII				Bioorg Med Chem Lett 15: 3096-101 (2005) Article DOI: 10.1016/j.bmcl.2005.04.055 BindingDB Entry DOI: 10.7270/Q27M07FQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50167408 (4-(((4-oxo-4H-chromen-3-yl)methyleneamino)methyl)b...) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2coc3ccccc3c2=O)cc1 Show InChI InChI=1S/C17H14N2O4S/c18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20/h1-8,10-11H,9H2,(H2,18,21,22)/b19-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+10	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 carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration				Eur J Med Chem 44: 3439-44 (2009) Article DOI: 10.1016/j.ejmech.2009.02.016 BindingDB Entry DOI: 10.7270/Q26W9DWG
					More data for this Ligand-Target Pair