null

SMILES: Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O

InChI Key: InChIKey=RGQQYUZZAVOEFH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50134938   

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))	BDBM50134938 (CHEMBL3747256) Show SMILES Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O Show InChI InChI=1S/C20H17F2IN4O4S/c1-10-14(27-32(25,29)30)3-2-4-17(10)31-18-8-11(21)7-16(19(18)20(24)28)26-15-6-5-12(23)9-13(15)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134938 (CHEMBL3747256) Show SMILES Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O Show InChI InChI=1S/C20H17F2IN4O4S/c1-10-14(27-32(25,29)30)3-2-4-17(10)31-18-8-11(21)7-16(19(18)20(24)28)26-15-6-5-12(23)9-13(15)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair