BDBM33266 CHEMBL379206::azo-sulfonamide, 1a::p-Phenyldiazenyl derivative, 5

SMILES: NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1

InChI Key: InChIKey=IPPFWRRJWLCWGK-UHFFFAOYSA-N

Data: 9 KI  1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 = 33266   

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 12 (Homo sapiens (Human))	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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...				Bioorg Med Chem 17: 7093-9 (2009) Article DOI: 10.1016/j.bmc.2009.09.003 BindingDB Entry DOI: 10.7270/Q2M32T4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	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	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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...				Bioorg Med Chem 17: 7093-9 (2009) Article DOI: 10.1016/j.bmc.2009.09.003 BindingDB Entry DOI: 10.7270/Q2M32T4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	-10.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.				Chem Biol Drug Des 74: 196-202 (2009) Article DOI: 10.1111/j.1747-0285.2009.00842.x BindingDB Entry DOI: 10.7270/Q2G44NS1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	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	393	-8.73	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					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...				Bioorg Med Chem 17: 7093-9 (2009) Article DOI: 10.1016/j.bmc.2009.09.003 BindingDB Entry DOI: 10.7270/Q2M32T4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	665	-8.42	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					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...				Bioorg Med Chem 17: 7093-9 (2009) Article DOI: 10.1016/j.bmc.2009.09.003 BindingDB Entry DOI: 10.7270/Q2M32T4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	665	-8.42	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.				Chem Biol Drug Des 74: 196-202 (2009) Article DOI: 10.1111/j.1747-0285.2009.00842.x BindingDB Entry DOI: 10.7270/Q2G44NS1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	665	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 cloned full length carbonic anhydrase 2 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4929-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.088 BindingDB Entry DOI: 10.7270/Q2H70GSS
					More data for this Ligand-Target Pair
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis)	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.27E+3	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 Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4929-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.088 BindingDB Entry DOI: 10.7270/Q2H70GSS
					More data for this Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (Mycobacterium tuberculosis)	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+4	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 Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4929-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.088 BindingDB Entry DOI: 10.7270/Q2H70GSS
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM33266 (CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10| Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Research Institute of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of COX1 assessed as TBX2 production in human whole blood				Bioorg Med Chem Lett 16: 4440-3 (2006) Article DOI: 10.1016/j.bmcl.2006.06.036 BindingDB Entry DOI: 10.7270/Q2ZS2W33
					More data for this Ligand-Target Pair