Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 384.4 BDBM84536

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM84536 (Indirubin derivative, 32) Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C18H16N4O4S/c1-22(2)27(25,26)10-7-8-14-12(9-10)15(18(23)20-14)17-16(21-24)11-5-3-4-6-13(11)19-17/h3-9,15,19H,1-2H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	8.0	22
Schering AG					Assay Description Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.				Chembiochem 6: 531-40 (2005) Article DOI: 10.1002/cbic.200400108 BindingDB Entry DOI: 10.7270/Q2B56H8H
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM84536 (Indirubin derivative, 32) Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C18H16N4O4S/c1-22(2)27(25,26)10-7-8-14-12(9-10)15(18(23)20-14)17-16(21-24)11-5-3-4-6-13(11)19-17/h3-9,15,19H,1-2H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	8.0	22
Schering AG					Assay Description Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.				Chembiochem 6: 531-40 (2005) Article DOI: 10.1002/cbic.200400108 BindingDB Entry DOI: 10.7270/Q2B56H8H
					More data for this Ligand-Target Pair