BDBM10080 (+)-(S)-(Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylene)-5-nitro-2-oxo-2,3-dihydro-1H-indol-4-yl]-pyrrolidine-3-carboxylic acid amide::(3S)-1-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxo-2,3-dihydro-1H-indol-4-yl]pyrrolidine-3-carboxamide::C-4 substituted oxindole inhibitor 7d

SMILES: COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](C3)C(N)=O)c12)N(=O)=O

InChI Key: InChIKey=UICIZMQSRIHCGB-DFYQSJSGSA-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 = 10080   

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))	BDBM10080 ((+)-(S)-(Z)-1-[3-(3-Methoxy-1H-pyrrol-2-ylmethylen...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](C3)C(N)=O)c12)N(=O)=O |r| Show InChI InChI=1S/C19H19N5O5/c1-29-15-4-6-21-13(15)8-11-16-12(22-19(11)26)2-3-14(24(27)28)17(16)23-7-5-10(9-23)18(20)25/h2-4,6,8,10,21H,5,7,9H2,1H3,(H2,20,25)(H,22,26)/b11-8-/t10-/m0/s1	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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