BDBM50415852 CHEMBL1096990

SMILES: Cn1nc(s\c1=N/S(=O)(=O)c1ccc(NC(=O)CCCN)cc1)S(N)(=O)=O

InChI Key: InChIKey=LNPNMMPHTGLHGR-PDGQHHTCSA-N

Data: 1 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 1 hit for monomerid = 50415852   

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))	BDBM50415852 (CHEMBL1096990) Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(NC(=O)CCCN)cc1)S(N)(=O)=O Show InChI InChI=1S/C13H18N6O5S3/c1-19-12(25-13(17-19)26(15,21)22)18-27(23,24)10-6-4-9(5-7-10)16-11(20)3-2-8-14/h4-7H,2-3,8,14H2,1H3,(H,16,20)(H2,15,21,22)/b18-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GITAM University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3089-93 (2010) Article DOI: 10.1016/j.bmcl.2010.03.104 BindingDB Entry DOI: 10.7270/Q28C9XGR
					More data for this Ligand-Target Pair