Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM50390260'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 beta (Homo sapiens (Human))	BDBM50390260 (CHEMBL2070413) Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1 Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-	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	350	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of IKKbeta (unknown origin) by TR-FRET assay				Bioorg Med Chem Lett 26: 1120-3 (2016) Article DOI: 10.1016/j.bmcl.2016.01.065 BindingDB Entry DOI: 10.7270/Q2F76FD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50390260 (CHEMBL2070413) Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1 Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-	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	350	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay				Bioorg Med Chem Lett 22: 5668-74 (2012) Article DOI: 10.1016/j.bmcl.2012.06.088 BindingDB Entry DOI: 10.7270/Q2NZ88QX
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Mus musculus)	BDBM50390260 (CHEMBL2070413) Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1 Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of IKKbeta in mouse CIA model spelonocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA				Bioorg Med Chem Lett 22: 5668-74 (2012) Article DOI: 10.1016/j.bmcl.2012.06.088 BindingDB Entry DOI: 10.7270/Q2NZ88QX
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Mus musculus)	BDBM50390260 (CHEMBL2070413) Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1 Show InChI InChI=1S/C31H32N4O4S2/c1-33-16-18-34(19-17-33)15-2-20-38-25-13-7-24(8-14-25)35-30(37)28(41-31(35)40)21-22-3-9-26(10-4-22)39-27-11-5-23(6-12-27)29(32)36/h3-14,21H,2,15-20H2,1H3,(H2,32,36)/b28-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by E...				Bioorg Med Chem Lett 26: 1120-3 (2016) Article DOI: 10.1016/j.bmcl.2016.01.065 BindingDB Entry DOI: 10.7270/Q2F76FD3
					More data for this Ligand-Target Pair