null

SMILES: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1

InChI Key: InChIKey=ZDWACNOUAONLJG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50258990   

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))	BDBM50258990 (CHEMBL4090426) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H23N5O5S2/c27-20(22-12-15-1-6-18-19(11-15)31-14-30-18)13-33-21(32)23-25-9-7-24(8-10-25)16-2-4-17(5-3-16)26(28)29/h1-6,11H,7-10,12-14H2,(H,22,27)(H,23,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.799	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-2				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50258990 (CHEMBL4090426) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H23N5O5S2/c27-20(22-12-15-1-6-18-19(11-15)31-14-30-18)13-33-21(32)23-25-9-7-24(8-10-25)16-2-4-17(5-3-16)26(28)29/h1-6,11H,7-10,12-14H2,(H,22,27)(H,23,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.903	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-1				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair