BDBM50338239 7-(1-(4-amino-2-fluorobenzyl)piperidin-3-yl)-2-ureido-5,7-dihydro-4H-thieno[2,3-e]indazole-3-carboxamide::CHEMBL1681988

SMILES: NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(N)cc3F)C2)c1C(N)=O

InChI Key: InChIKey=CZHNJXJHEJSIBX-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 = 50338239   

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))	BDBM50338239 (7-(1-(4-amino-2-fluorobenzyl)piperidin-3-yl)-2-ure...) Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(N)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H26FN7O2S/c24-17-8-13(25)4-3-12(17)9-30-7-1-2-14(10-30)31-11-16-18(29-31)6-5-15-19(21(26)32)22(28-23(27)33)34-20(15)16/h3-4,8,11,14H,1-2,5-7,9-10,25H2,(H2,26,32)(H3,27,28,33)	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	500	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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50338239 (7-(1-(4-amino-2-fluorobenzyl)piperidin-3-yl)-2-ure...) Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(N)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H26FN7O2S/c24-17-8-13(25)4-3-12(17)9-30-7-1-2-14(10-30)31-11-16-18(29-31)6-5-15-19(21(26)32)22(28-23(27)33)34-20(15)16/h3-4,8,11,14H,1-2,5-7,9-10,25H2,(H2,26,32)(H3,27,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	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-alpha 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