BDBM91710 Sulfonamide, 12

SMILES: NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=ZHKALDTVMLDHLI-UHFFFAOYSA-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 = 91710   

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))	BDBM91710 (Sulfonamide, 12) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C28H30N4O8S4/c29-41(33,34)25-9-1-21(2-10-25)17-19-31-43(37,38)27-13-5-23(6-14-27)24-7-15-28(16-8-24)44(39,40)32-20-18-22-3-11-26(12-4-22)42(30,35)36/h1-16,31-32H,17-20H2,(H2,29,33,34)(H2,30,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM91710 (Sulfonamide, 12) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C28H30N4O8S4/c29-41(33,34)25-9-1-21(2-10-25)17-19-31-43(37,38)27-13-5-23(6-14-27)24-7-15-28(16-8-24)44(39,40)32-20-18-22-3-11-26(12-4-22)42(30,35)36/h1-16,31-32H,17-20H2,(H2,29,33,34)(H2,30,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM91710 (Sulfonamide, 12) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C28H30N4O8S4/c29-41(33,34)25-9-1-21(2-10-25)17-19-31-43(37,38)27-13-5-23(6-14-27)24-7-15-28(16-8-24)44(39,40)32-20-18-22-3-11-26(12-4-22)42(30,35)36/h1-16,31-32H,17-20H2,(H2,29,33,34)(H2,30,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM91710 (Sulfonamide, 12) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C28H30N4O8S4/c29-41(33,34)25-9-1-21(2-10-25)17-19-31-43(37,38)27-13-5-23(6-14-27)24-7-15-28(16-8-24)44(39,40)32-20-18-22-3-11-26(12-4-22)42(30,35)36/h1-16,31-32H,17-20H2,(H2,29,33,34)(H2,30,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	604	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair