BDBM50338258 (+/-)-7-(1-benzylazepan-3-yl)-2-ureido-5,7-dihydro-4H-thieno[2,3-e]indazole-3-carboxamide::CHEMBL1681983

SMILES: NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCCN(Cc3ccccc3)C2)c1C(N)=O

InChI Key: InChIKey=JPYYNLKDMBTCJC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50338258   

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 (Homo sapiens (Human))	BDBM50338258 ((+/-)-7-(1-benzylazepan-3-yl)-2-ureido-5,7-dihydro...) Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCCN(Cc3ccccc3)C2)c1C(N)=O Show InChI InChI=1S/C24H28N6O2S/c25-22(31)20-17-9-10-19-18(21(17)33-23(20)27-24(26)32)14-30(28-19)16-8-4-5-11-29(13-16)12-15-6-2-1-3-7-15/h1-3,6-7,14,16H,4-5,8-13H2,(H2,25,31)(H3,26,27,32)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human IKK-beta by substrate phosphorylation assay				Bioorg Med Chem Lett 21: 1758-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.069 BindingDB Entry DOI: 10.7270/Q2TX3FPV
					More data for this Ligand-Target Pair