BDBM50070606 CHEMBL3408993

SMILES: [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1

InChI Key: InChIKey=PINIWKKIOHMJTQ-UHFFFAOYSA-M

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 = 50070606   

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))	BDBM50070606 (CHEMBL3408993) Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1 Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Eur J Med Chem 92: 156-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.035 BindingDB Entry DOI: 10.7270/Q23B61TF
					More data for this Ligand-Target Pair
Carbonic anhydrase (Bos taurus-Bos taurus (Cattle)-Bos taurus (bovine))	BDBM50070606 (CHEMBL3408993) Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1 Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase 5				Eur J Med Chem 92: 156-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.035 BindingDB Entry DOI: 10.7270/Q23B61TF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50070606 (CHEMBL3408993) Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1 Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1	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	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Eur J Med Chem 92: 156-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.035 BindingDB Entry DOI: 10.7270/Q23B61TF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50070606 (CHEMBL3408993) Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1 Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Eur J Med Chem 92: 156-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.035 BindingDB Entry DOI: 10.7270/Q23B61TF
					More data for this Ligand-Target Pair