BDBM7422 (2 Z,3 E)-6-Bromo-5-methylindirubin-3 -acetoxime::6-Bromo-5-methylindirubin-3 -acetoxime::[(3E)-2-[(3Z)-6-bromo-5-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-dihydro-1H-indol-3-ylidene]amino acetate::indirubin deriv. 8f

SMILES: CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12

InChI Key: InChIKey=LQKYIKKSTNBSJC-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID contains 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 = 7422   

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))	BDBM7422 ((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -acetoxime |...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12 |w:6.5,4.3| Show InChI InChI=1S/C19H14BrN3O3/c1-9-7-12-15(8-13(9)20)22-19(25)16(12)18-17(23-26-10(2)24)11-5-3-4-6-14(11)21-18/h3-8,21H,1-2H3,(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	3.00E+4	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))	BDBM7422 ((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -acetoxime |...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12 |w:6.5,4.3| Show InChI InChI=1S/C19H14BrN3O3/c1-9-7-12-15(8-13(9)20)22-19(25)16(12)18-17(23-26-10(2)24)11-5-3-4-6-14(11)21-18/h3-8,21H,1-2H3,(H,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	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)	BDBM7422 ((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -acetoxime |...) Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12 |w:6.5,4.3| Show InChI InChI=1S/C19H14BrN3O3/c1-9-7-12-15(8-13(9)20)22-19(25)16(12)18-17(23-26-10(2)24)11-5-3-4-6-14(11)21-18/h3-8,21H,1-2H3,(H,22,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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