BDBM10091 (-)-(R)-(Z)-4-(3-Amino-pyrrolidinyl)-3-(3-methoxy-1H-pyrrol-2-ylmethylene) -5- nitro -1,3-dihydro-indol-2-one::(3Z)-4-[(3R)-3-aminopyrrolidin-1-yl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2,3-dihydro-1H-indol-2-one::C-4 substituted oxindole inhibitor 7o

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

InChI Key: InChIKey=UVTOVXHMQMTPSH-UBYNWHESSA-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 = 10091   

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))	BDBM10091 ((-)-(R)-(Z)-4-(3-Amino-pyrrolidinyl)-3-(3-methoxy-...) Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](N)C3)c12)N(=O)=O |r| Show InChI InChI=1S/C18H19N5O4/c1-27-15-4-6-20-13(15)8-11-16-12(21-18(11)24)2-3-14(23(25)26)17(16)22-7-5-10(19)9-22/h2-4,6,8,10,20H,5,7,9,19H2,1H3,(H,21,24)/b11-8-/t10-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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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