BDBM321447 N,N-dimethyl-3-[6-(3-methylbut-2-enyl)-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]benzamide::US10183009, Example 3

SMILES: CN(C)C(=O)c1cccc(c1)-c1cn(CC=C(C)C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=DMDKQAYAEKHHCQ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 321447   

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
CECR2 (aa 424-538) (Homo sapiens (Human))	BDBM321447 (N,N-dimethyl-3-[6-(3-methylbut-2-enyl)-7-oxo-1H-py...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C(C)C)c(=O)c2[nH]ccc12 |(-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-1.18,-3.85,;-1.18,-5.39,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;2.82,-1.54,;1.48,-.77,;.15,-1.54,;1.48,.77,;.15,1.54,;.15,3.08,;-1.18,3.85,;-2.52,3.08,;-3.85,3.85,;-3.85,5.39,;-5.19,3.08,;1.48,3.85,;1.48,5.39,;2.82,3.08,;4.28,3.56,;5.19,2.31,;4.28,1.06,;2.82,1.54,)| Show InChI InChI=1S/C21H23N3O2/c1-14(2)9-11-24-13-18(17-8-10-22-19(17)21(24)26)15-6-5-7-16(12-15)20(25)23(3)4/h5-10,12-13,22H,11H2,1-4H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent					Assay Description His/Flag epitope tagged TAF1-BD21504-1635 was cloned, expressed, and purified to homogeneity. TAF1-BD2 binding and inhibition was assessed by monitor...				US Patent US10183009 (2019) BindingDB Entry DOI: 10.7270/Q2125VRQ
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