BDBM50123284 5-(5-Benzyloxy-1H-indol-3-ylmethylene)-1,3-diethyl-2-thioxo-dihydro-pyrimidine-4,6-dione::CHEMBL150992

SMILES: CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O

InChI Key: InChIKey=FAIXVGXVZWCCOR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50123284   

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
Tumor necrosis factor receptor R1 (Homo sapiens (Human))	BDBM50123284 (5-(5-Benzyloxy-1H-indol-3-ylmethylene)-1,3-diethyl...) Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O |(19.82,-5.92,;18.51,-5.1,;18.58,-3.56,;17.22,-2.82,;15.89,-3.61,;17.2,-1.27,;15.86,-.45,;14.51,-1.2,;18.51,-.48,;18.48,1.07,;19.86,-1.22,;21.18,-.43,;22.54,-1.17,;22.73,-2.7,;24.24,-2.98,;24.97,-1.62,;26.47,-1.27,;26.93,.2,;25.86,1.33,;26.3,2.8,;27.8,3.17,;28.24,4.65,;27.19,5.77,;27.61,7.24,;29.14,7.59,;30.19,6.48,;29.74,5,;24.36,.97,;23.92,-.5,;19.89,-2.76,;21.25,-3.51,)| Show InChI InChI=1S/C24H23N3O3S/c1-3-26-22(28)20(23(29)27(4-2)24(26)31)12-17-14-25-21-11-10-18(13-19(17)21)30-15-16-8-6-5-7-9-16/h5-14,25H,3-4,15H2,1-2H3	PDB MMDB 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	400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of TNF-alpha binding to TNFRc1				Bioorg Med Chem Lett 13: 533-8 (2003) BindingDB Entry DOI: 10.7270/Q2X929N3
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