BDBM91712 Sulfonamide, 14

SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)s1

InChI Key: InChIKey=SYJOOTRZESQUQE-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 = 91712   

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))	BDBM91712 (Sulfonamide, 14) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C16H14N8O8S6/c17-35(25,26)15-21-19-13(33-15)23-37(29,30)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38(31,32)24-14-20-22-16(34-14)36(18,27)28/h1-8H,(H,19,23)(H,20,24)(H2,17,25,26)(H2,18,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	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				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM91712 (Sulfonamide, 14) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C16H14N8O8S6/c17-35(25,26)15-21-19-13(33-15)23-37(29,30)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38(31,32)24-14-20-22-16(34-14)36(18,27)28/h1-8H,(H,19,23)(H,20,24)(H2,17,25,26)(H2,18,27,28)	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	35	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))	BDBM91712 (Sulfonamide, 14) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C16H14N8O8S6/c17-35(25,26)15-21-19-13(33-15)23-37(29,30)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38(31,32)24-14-20-22-16(34-14)36(18,27)28/h1-8H,(H,19,23)(H,20,24)(H2,17,25,26)(H2,18,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	154	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))	BDBM91712 (Sulfonamide, 14) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C16H14N8O8S6/c17-35(25,26)15-21-19-13(33-15)23-37(29,30)11-5-1-9(2-6-11)10-3-7-12(8-4-10)38(31,32)24-14-20-22-16(34-14)36(18,27)28/h1-8H,(H,19,23)(H,20,24)(H2,17,25,26)(H2,18,27,28)	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	693	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