BDBM50317174 (2'Z,3'E)-5-Nitro-5'-methoxy-indirubin-3'-oxime::CHEMBL1087739

SMILES: COc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O

InChI Key: InChIKey=AJLNBZTXZGXBGH-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 = 50317174   

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))	BDBM50317174 ((2'Z,3'E)-5-Nitro-5'-methoxy-indirubin-3'-oxime | ...) Show SMILES COc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-5.72,-39.64,;-5.72,-41.18,;-4.38,-41.95,;-4.38,-43.49,;-3.05,-44.26,;-1.72,-43.49,;-.24,-43.97,;.67,-42.72,;-.24,-41.46,;.23,-40,;1.74,-39.67,;-1.72,-41.94,;-3.05,-41.18,;2.21,-42.72,;3.11,-41.47,;2.79,-39.97,;3.92,-38.94,;5.4,-39.41,;5.72,-40.91,;4.58,-41.94,;4.58,-43.48,;3.11,-43.96,;2.64,-45.43,;3.59,-37.44,;4.73,-36.4,;2.13,-36.97,)| Show InChI InChI=1S/C17H11N4O5/c1-26-9-3-5-13-11(7-9)15(20-23)16(18-13)14-10-6-8(21(24)25)2-4-12(10)19-17(14)22/h2-7,18H,1H3,(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	2.95E+3	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