BDBM50028011 CHEMBL3360810

SMILES: Cc1c(sc2sc(c(-c3ccccc3)c12)-c1ccc(C#N)c(=O)[nH]1)-c1ccc(C(O)=O)c(=O)[nH]1

InChI Key: InChIKey=HFJQNCIFYNULSY-UHFFFAOYSA-N

Data: 1 IC50

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 = 50028011   

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 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9 (Homo sapiens (Human))	BDBM50028011 (CHEMBL3360810) Show SMILES Cc1c(sc2sc(c(-c3ccccc3)c12)-c1ccc(C#N)c(=O)[nH]1)-c1ccc(C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C25H15N3O4S2/c1-12-18-19(13-5-3-2-4-6-13)21(17-9-7-14(11-26)22(29)27-17)34-25(18)33-20(12)16-10-8-15(24(31)32)23(30)28-16/h2-10H,1H3,(H,27,29)(H,28,30)(H,31,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase (unknown origin)				Bioorg Med Chem 22: 6715-25 (2014) Article DOI: 10.1016/j.bmc.2014.08.014 BindingDB Entry DOI: 10.7270/Q20Z74W7
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