BDBM50390267 CHEMBL2070433

SMILES: CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3ccc(cc3)C(N)=O)cc2)C1=O

InChI Key: InChIKey=KMSNWPLEJPDUJH-OOAXWGSJSA-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 = 50390267   

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 beta (Mus musculus)	BDBM50390267 (CHEMBL2070433) Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3ccc(cc3)C(N)=O)cc2)C1=O Show InChI InChI=1S/C30H31N3O4S2/c1-3-32(4-2)18-5-19-36-24-16-10-23(11-17-24)33-29(35)27(39-30(33)38)20-21-6-12-25(13-7-21)37-26-14-8-22(9-15-26)28(31)34/h6-17,20H,3-5,18-19H2,1-2H3,(H2,31,34)/b27-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+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 (Homo sapiens (Human))	BDBM50390267 (CHEMBL2070433) Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Oc3ccc(cc3)C(N)=O)cc2)C1=O Show InChI InChI=1S/C30H31N3O4S2/c1-3-32(4-2)18-5-19-36-24-16-10-23(11-17-24)33-29(35)27(39-30(33)38)20-21-6-12-25(13-7-21)37-26-14-8-22(9-15-26)28(31)34/h6-17,20H,3-5,18-19H2,1-2H3,(H2,31,34)/b27-20-	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	2.60E+3	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