BDBM50277067 1-(8-chloro-5-methoxy-2-(thiophen-2-yl)quinazolin-4-ylamino)-3-methyl-1H-pyrrole-2,5-dione::CHEMBL514875

SMILES: COc1ccc(Cl)c2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1

InChI Key: InChIKey=FAZJTQVDAJDGAY-UHFFFAOYSA-N

Data: 2 EC50

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 = 50277067   

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
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM50277067 (1-(8-chloro-5-methoxy-2-(thiophen-2-yl)quinazolin-...) Show SMILES COc1ccc(Cl)c2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:16| Show InChI InChI=1S/C18H13ClN4O3S/c1-9-8-13(24)23(18(9)25)22-17-14-11(26-2)6-5-10(19)15(14)20-16(21-17)12-4-3-7-27-12/h3-8H,1-2H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+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
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B (Homo sapiens (Human))	BDBM50277067 (1-(8-chloro-5-methoxy-2-(thiophen-2-yl)quinazolin-...) Show SMILES COc1ccc(Cl)c2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:16| Show InChI InChI=1S/C18H13ClN4O3S/c1-9-8-13(24)23(18(9)25)22-17-14-11(26-2)6-5-10(19)15(14)20-16(21-17)12-4-3-7-27-12/h3-8H,1-2H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	310	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
					More data for this Ligand-Target Pair