BDBM50257827 CHEMBL4103371

SMILES: Nc1nc(-c2cccc(F)c2)c2c(c[nH]c2n1)C#N

InChI Key: InChIKey=OWBRYIBDGOHENC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50257827   

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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257827 (CHEMBL4103371) Show SMILES Nc1nc(-c2cccc(F)c2)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H8FN5/c14-9-3-1-2-7(4-9)11-10-8(5-15)6-17-12(10)19-13(16)18-11/h1-4,6H,(H3,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257827 (CHEMBL4103371) Show SMILES Nc1nc(-c2cccc(F)c2)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H8FN5/c14-9-3-1-2-7(4-9)11-10-8(5-15)6-17-12(10)19-13(16)18-11/h1-4,6H,(H3,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair