BDBM50138389 CHEMBL133941::{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-(4-trifluoromethyl-phenyl)-amine

SMILES: FC(F)(F)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1

InChI Key: InChIKey=SGLSPDMWKHUQNK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50138389   

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 alpha (Homo sapiens (Human))	BDBM50138389 (CHEMBL133941 | {4-[4-(Piperazine-1-sulfonyl)-pheny...) Show SMILES FC(F)(F)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C21H20F3N5O2S/c22-21(23,24)16-3-5-17(6-4-16)27-20-26-10-9-19(28-20)15-1-7-18(8-2-15)32(30,31)29-13-11-25-12-14-29/h1-10,25H,11-14H2,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.98E+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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50138389 (CHEMBL133941 | {4-[4-(Piperazine-1-sulfonyl)-pheny...) Show SMILES FC(F)(F)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C21H20F3N5O2S/c22-21(23,24)16-3-5-17(6-4-16)27-20-26-10-9-19(28-20)15-1-7-18(8-2-15)32(30,31)29-13-11-25-12-14-29/h1-10,25H,11-14H2,(H,26,27,28)	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	513	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate				Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50138389 (CHEMBL133941 | {4-[4-(Piperazine-1-sulfonyl)-pheny...) Show SMILES FC(F)(F)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1 Show InChI InChI=1S/C21H20F3N5O2S/c22-21(23,24)16-3-5-17(6-4-16)27-20-26-10-9-19(28-20)15-1-7-18(8-2-15)32(30,31)29-13-11-25-12-14-29/h1-10,25H,11-14H2,(H,26,27,28)	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	513	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