BDBM10089 (3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-4-(piperidin-4-ylamino)-2,3-dihydro-1H-indol-2-one::C-4 substituted oxindole inhibitor 7m

SMILES: COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(NC3CCNCC3)c12)N(=O)=O

InChI Key: InChIKey=ZZKDANPISWUVAA-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 = 10089   

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))	BDBM10089 ((3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-n...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(NC3CCNCC3)c12)N(=O)=O Show InChI InChI=1S/C19H21N5O4/c1-28-16-6-9-21-14(16)10-12-17-13(23-19(12)25)2-3-15(24(26)27)18(17)22-11-4-7-20-8-5-11/h2-3,6,9-11,20-22H,4-5,7-8H2,1H3,(H,23,25)/b12-10-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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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