Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM50334634'   

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))	BDBM50334634 ((S)-N-(1-(3-(5-amino-8-methyl-8H-imidazo[4,5-d]thi...) Show SMILES C[C@H](NC(C)=O)c1cccc(c1)-c1nc2c(nc(N)c3ncn(C)c23)s1 |r| Show InChI InChI=1S/C18H18N6OS/c1-9(21-10(2)25)11-5-4-6-12(7-11)17-22-14-15-13(20-8-24(15)3)16(19)23-18(14)26-17/h4-9H,1-3H3,(H2,19,23)(H,21,25)/t9-/m0/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50334634 ((S)-N-(1-(3-(5-amino-8-methyl-8H-imidazo[4,5-d]thi...) Show SMILES C[C@H](NC(C)=O)c1cccc(c1)-c1nc2c(nc(N)c3ncn(C)c23)s1 |r| Show InChI InChI=1S/C18H18N6OS/c1-9(21-10(2)25)11-5-4-6-12(7-11)17-22-14-15-13(20-8-24(15)3)16(19)23-18(14)26-17/h4-9H,1-3H3,(H2,19,23)(H,21,25)/t9-/m0/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 21: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.133 BindingDB Entry DOI: 10.7270/Q2ZK5GZD
					More data for this Ligand-Target Pair