BDBM50317169 (2'Z,3'E)-5-Nitro-5'-fluoro-indirubin-3'-oxime::CHEMBL1087073

SMILES: [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(F)cc4c3N=[OH+])c2c1

InChI Key: InChIKey=TUTMFSOYFHXRGZ-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 = 50317169   

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))	BDBM50317169 ((2'Z,3'E)-5-Nitro-5'-fluoro-indirubin-3'-oxime | C...) Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(F)cc4c3N=[OH+])c2c1 |(19.84,4.61,;18.7,3.57,;17.23,4.04,;19.03,2.07,;20.5,1.6,;20.83,.09,;19.69,-.94,;19.69,-2.48,;18.22,-2.96,;17.74,-4.42,;17.32,-1.71,;15.78,-1.71,;14.87,-2.97,;13.39,-2.49,;12.06,-3.26,;10.72,-2.49,;10.73,-.94,;9.39,-.17,;12.05,-.17,;13.39,-.93,;14.87,-.45,;15.34,1.01,;16.85,1.33,;18.22,-.46,;17.9,1.03,)| Show InChI InChI=1S/C16H8FN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	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