BDBM10079 (Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylene)-5-nitro-2-oxo-2,3-dihydro-1H-indol-4-yl]-piperidine-3-carboxylic acid amide::1-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxo-2,3-dihydro-1H-indol-4-yl]piperidine-3-carboxamide::C-4 substituted oxindole inhibitor 7c

SMILES: COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(C3)C(N)=O)c12)N(=O)=O

InChI Key: InChIKey=ATUZXWVYAJNCKD-XFXZXTDPSA-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 = 10079   

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
CDK2/CycE (Homo sapiens (Human))	BDBM10079 ((Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylene)-5-nit...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(C3)C(N)=O)c12)N(=O)=O Show InChI InChI=1S/C20H21N5O5/c1-30-16-6-7-22-14(16)9-12-17-13(23-20(12)27)4-5-15(25(28)29)18(17)24-8-2-3-11(10-24)19(21)26/h4-7,9,11,22H,2-3,8,10H2,1H3,(H2,21,26)(H,23,27)/b12-9-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Hoffmann-La Roche Inc.					Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...				Bioorg Med Chem 11: 1873-81 (2003) Article DOI: 10.1016/s0968-0896(03)00036-1 BindingDB Entry DOI: 10.7270/Q24M92SM
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