BDBM50138396 3-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-ylamino}-benzonitrile::CHEMBL341432

SMILES: O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)C#N)n1

InChI Key: InChIKey=ITJVYQKATUIZIG-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 = 50138396   

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))	BDBM50138396 (3-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)C#N)n1 Show InChI InChI=1S/C21H20N6O2S/c22-15-16-2-1-3-18(14-16)25-21-24-9-8-20(26-21)17-4-6-19(7-5-17)30(28,29)27-12-10-23-11-13-27/h1-9,14,23H,10-13H2,(H,24,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibitory activity against IKK2				Bioorg Med Chem Lett 14: 409-12 (2003) BindingDB Entry DOI: 10.7270/Q2WQ036V
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50138396 (3-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)C#N)n1 Show InChI InChI=1S/C21H20N6O2S/c22-15-16-2-1-3-18(14-16)25-21-24-9-8-20(26-21)17-4-6-19(7-5-17)30(28,29)27-12-10-23-11-13-27/h1-9,14,23H,10-13H2,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibitory activity against IKK1				Bioorg Med Chem Lett 14: 409-12 (2003) BindingDB Entry DOI: 10.7270/Q2WQ036V
					More data for this Ligand-Target Pair