BDBM50317177 5-nitroindirubin-3'-oxime::CHEMBL369303

SMILES: Oc1[nH]c2ccc(cc2c1-c1[nH]c2ccccc2c1N=O)[N+]([O-])=O

InChI Key: InChIKey=GGDVRGTXPGQCNT-UHFFFAOYSA-O

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 = 50317177   

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))	BDBM50317177 (5-nitroindirubin-3'-oxime | CHEMBL369303) Show SMILES Oc1[nH]c2ccc(cc2c1-c1[nH]c2ccccc2c1N=O)[N+]([O-])=O |(-.11,-4.55,;.8,-3.31,;2.35,-3.31,;2.82,-1.84,;4.22,-1.22,;4.38,.32,;3.13,1.23,;1.73,.6,;1.58,-.94,;.33,-1.84,;-1.21,-1.82,;-2.13,-3.07,;-3.6,-2.58,;-4.91,-3.35,;-6.24,-2.58,;-6.24,-1.05,;-4.91,-.26,;-3.58,-1.03,;-2.11,-.57,;-1.62,.9,;-2.65,2.04,;3.29,2.75,;4.69,3.38,;2.05,3.65,)| Show InChI InChI=1S/C16H9N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17H,(H,18,21)/q-1/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E				J Med Chem 53: 3696-706 (2010) Article DOI: 10.1021/jm100080z BindingDB Entry DOI: 10.7270/Q2X92BFT
					More data for this Ligand-Target Pair