BDBM11053 CHEMBL386049::N-(4-sulfamoylphenyl)-2-sulfanylbenzamide::reduced monomeric thio of compound 5a::reduced thio H5a

SMILES: NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1

InChI Key: InChIKey=MRLVIVXGUGNENL-UHFFFAOYSA-N

Data: 10 KI

PDB links: 1 PDB ID matches this monomer.

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 10 hits for monomerid = 11053   

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 (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 21: 6674-80 (2013) Article DOI: 10.1016/j.bmc.2013.08.011 BindingDB Entry DOI: 10.7270/Q2V40Z44
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 21: 6674-80 (2013) Article DOI: 10.1016/j.bmc.2013.08.011 BindingDB Entry DOI: 10.7270/Q2V40Z44
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow technique				J Med Chem 51: 3051-6 (2008) Article DOI: 10.1021/jm701526d BindingDB Entry DOI: 10.7270/Q2KH0N4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow technique				J Med Chem 51: 3051-6 (2008) Article DOI: 10.1021/jm701526d BindingDB Entry DOI: 10.7270/Q2KH0N4Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase V (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA5A by stopped-flow CO2 hydrase assay				Bioorg Med Chem 21: 6674-80 (2013) Article DOI: 10.1016/j.bmc.2013.08.011 BindingDB Entry DOI: 10.7270/Q2V40Z44
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA5B by stopped-flow CO2 hydrase assay				Bioorg Med Chem 21: 6674-80 (2013) Article DOI: 10.1016/j.bmc.2013.08.011 BindingDB Entry DOI: 10.7270/Q2V40Z44
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	276	-8.85	n/a	n/a	n/a	n/a	n/a	7.5	22
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM11053 (CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow technique				J Med Chem 51: 3051-6 (2008) Article DOI: 10.1021/jm701526d BindingDB Entry DOI: 10.7270/Q2KH0N4Q
					More data for this Ligand-Target Pair