BDBM50377140 CHEMBL254793

SMILES: NCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1

InChI Key: InChIKey=BEGWCMAELGWWIV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50377140   

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))	BDBM50377140 (CHEMBL254793) Show SMILES NCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C20H18N6OS/c21-9-7-19(27)24-14-3-1-13(2-4-14)16-8-10-22-20(26-16)25-15-5-6-17-18(11-15)28-12-23-17/h1-6,8,10-12H,7,9,21H2,(H,24,27)(H,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	731	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377140 (CHEMBL254793) Show SMILES NCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C20H18N6OS/c21-9-7-19(27)24-14-3-1-13(2-4-14)16-8-10-22-20(26-16)25-15-5-6-17-18(11-15)28-12-23-17/h1-6,8,10-12H,7,9,21H2,(H,24,27)(H,22,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair