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SMILES: Nc1[nH]c(Sc2ccccc2N)c(C#N)c1C#N

InChI Key: InChIKey=QUJCZQKHGPSMLY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50072145   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50072145 (2-Amino-5-(2-amino-phenylsulfanyl)-1H-pyrrole-3,4-...) Show SMILES Nc1[nH]c(Sc2ccccc2N)c(C#N)c1C#N Show InChI InChI=1S/C12H9N5S/c13-5-7-8(6-14)12(17-11(7)16)18-10-4-2-1-3-9(10)15/h1-4,17H,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Non-competitive inhibition of the dual specificity kinase MEK				Bioorg Med Chem Lett 8: 2839-44 (1999) BindingDB Entry DOI: 10.7270/Q2MW2HNN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50072145 (2-Amino-5-(2-amino-phenylsulfanyl)-1H-pyrrole-3,4-...) Show SMILES Nc1[nH]c(Sc2ccccc2N)c(C#N)c1C#N Show InChI InChI=1S/C12H9N5S/c13-5-7-8(6-14)12(17-11(7)16)18-10-4-2-1-3-9(10)15/h1-4,17H,15-16H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Ability to antagonise AP-1 transcriptional activity				Bioorg Med Chem Lett 8: 2839-44 (1999) BindingDB Entry DOI: 10.7270/Q2MW2HNN
					More data for this Ligand-Target Pair