BDBM7414 (2 Z,3 E)-6-Vinylindirubin-3 -acetoxime::6-vinylindirubin-3 -acetoxime::[(3E)-2-[(3Z)-6-ethenyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-dihydro-1H-indol-3-ylidene]amino acetate::indirubin deriv. 8i

SMILES: CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12

InChI Key: InChIKey=OASGUSWHMPJLBD-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 3 hits for monomerid = 7414   

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
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM7414 ((2 Z,3 E)-6-Vinylindirubin-3 -acetoxime | 6-vinyli...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12 |w:6.5,4.3| Show InChI InChI=1S/C20H15N3O3/c1-3-12-8-9-13-16(10-12)22-20(25)17(13)19-18(23-26-11(2)24)14-6-4-5-7-15(14)21-19/h3-10,21H,1H2,2H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7414 ((2 Z,3 E)-6-Vinylindirubin-3 -acetoxime | 6-vinyli...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12 |w:6.5,4.3| Show InChI InChI=1S/C20H15N3O3/c1-3-12-8-9-13-16(10-12)22-20(25)17(13)19-18(23-26-11(2)24)14-6-4-5-7-15(14)21-19/h3-10,21H,1H2,2H3,(H,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair
Glycogen Synthase Kinase-3, beta (Porcine)	BDBM7414 ((2 Z,3 E)-6-Vinylindirubin-3 -acetoxime | 6-vinyli...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12 |w:6.5,4.3| Show InChI InChI=1S/C20H15N3O3/c1-3-12-8-9-13-16(10-12)22-20(25)17(13)19-18(23-26-11(2)24)14-6-4-5-7-15(14)21-19/h3-10,21H,1H2,2H3,(H,22,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	30
University of Athens					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 47: 935-46 (2004) Article DOI: 10.1021/jm031016d BindingDB Entry DOI: 10.7270/Q20G3HB8
					More data for this Ligand-Target Pair