BindingDB PrimarySearch

BDBM50135482 1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)-3-methyl-pyrrole-2,5-dione::1-(5-methoxy-2-(thiophen-2-yl)quinazolin-4-ylamino)-3-methyl-1H-pyrrole-2,5-dione::CHEMBL129857

SMILES: COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1

InChI Key: InChIKey=GZGLPBNOIFLLRE-UHFFFAOYSA-N

Data: 1 KI 8 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50135482
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Inhibitor of NF-kappa-B kinase alpha/beta (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of IKK2 (unknown origin)				Eur J Med Chem 170: 55-72 (2019) Article DOI: 10.1016/j.ejmech.2019.03.004
Arromax Pharmatech Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Transcription factor AP-1 (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Medical Branch Curated by ChEMBL					Assay Description Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay				J Med Chem 57: 6930-48 (2014) Article DOI: 10.1021/jm5004733 BindingDB Entry DOI: 10.7270/Q2222WDT
University of Texas Medical Branch Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of IKKbeta (unknown origin) by TR-FRET assay				Bioorg Med Chem 17: 2759-66 (2009) Article DOI: 10.1016/j.bmc.2009.02.041 BindingDB Entry DOI: 10.7270/Q2MW2H1K
Institute of Science and Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Potentiation of TNFalpha-induced NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining				Bioorg Med Chem Lett 19: 1191-4 (2009) Article DOI: 10.1016/j.bmcl.2008.12.086 BindingDB Entry DOI: 10.7270/Q26H4H8Z
Columbia University Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Induction of NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining				Bioorg Med Chem Lett 19: 1191-4 (2009) Article DOI: 10.1016/j.bmcl.2008.12.086 BindingDB Entry DOI: 10.7270/Q26H4H8Z
Columbia University Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	618	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 (unknown origin) expressed in mouse BAF3 cells				Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
UCB Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of IKK-beta by tome resolved fluorescence assay				Bioorg Med Chem Lett 20: 1075-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.033 BindingDB Entry DOI: 10.7270/Q2P84CVV
Inha University Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan Academy of Medical Science & Sichuan Provincial People's Hospital Curated by ChEMBL					Assay Description Inhibition of IKK2 (unknown origin)				Eur J Med Chem 178: 468-483 (2019) Article DOI: 10.1016/j.ejmech.2019.06.002
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of IKKbeta kinase (unknown origin) by Lance ULight system				Bioorg Med Chem Lett 24: 2655-60 (2014) Article DOI: 10.1016/j.bmcl.2014.04.058 BindingDB Entry DOI: 10.7270/Q20C4X94
Yonsei University Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
UCB Curated by ChEMBL					More data for this Ligand-Target Pair