BDBM50138395 CHEMBL133928::Phenyl-{4-[4-(piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-amine

SMILES: O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccccc2)n1

InChI Key: InChIKey=QJFSYXKBSGYKAS-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 = 50138395   

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))	BDBM50138395 (CHEMBL133928 | Phenyl-{4-[4-(piperazine-1-sulfonyl...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C20H21N5O2S/c26-28(27,25-14-12-21-13-15-25)18-8-6-16(7-9-18)19-10-11-22-20(24-19)23-17-4-2-1-3-5-17/h1-11,21H,12-15H2,(H,22,23,24)	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	91	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))	BDBM50138395 (CHEMBL133928 | Phenyl-{4-[4-(piperazine-1-sulfonyl...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C20H21N5O2S/c26-28(27,25-14-12-21-13-15-25)18-8-6-16(7-9-18)19-10-11-22-20(24-19)23-17-4-2-1-3-5-17/h1-11,21H,12-15H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.18E+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