BDBM50191940 CHEMBL1761587

SMILES: Oc1ccc(cc1)N1C(=O)CS\C1=N/N=C1\C(=O)Nc2ccc(F)cc12

InChI Key: InChIKey=BESARYKONNKDMP-FXBPSFAMSA-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 = 50191940   

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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 (Homo sapiens (Human))	BDBM50191940 (CHEMBL1761587) Show SMILES Oc1ccc(cc1)N1C(=O)CS\C1=N/N=C1\C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C17H11FN4O3S/c18-9-1-6-13-12(7-9)15(16(25)19-13)20-21-17-22(14(24)8-26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H,19,20,25)/b21-17-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Myrexis, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay				Bioorg Med Chem Lett 21: 1724-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.077 BindingDB Entry DOI: 10.7270/Q2988794
					More data for this Ligand-Target Pair