BDBM10084 (3Z)-4-(4-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2,3-dihydro-1H-indol-2-one::(Z)-4-(4-Hydroxy-piperidinyl)-3-(3-methoxy-1H-pyrrol-2-ylmethylene)-5-nitro-1,3-dihydro-indol-2-one::C-4 substituted oxindole inhibitor 7h

SMILES: COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(O)CC3)c12)N(=O)=O

InChI Key: InChIKey=AHTHXWPVSFJILB-BENRWUELSA-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 = 10084   

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))	BDBM10084 ((3Z)-4-(4-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(O)CC3)c12)N(=O)=O Show InChI InChI=1S/C19H20N4O5/c1-28-16-4-7-20-14(16)10-12-17-13(21-19(12)25)2-3-15(23(26)27)18(17)22-8-5-11(24)6-9-22/h2-4,7,10-11,20,24H,5-6,8-9H2,1H3,(H,21,25)/b12-10-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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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