BDBM84534 Indirubin derivative, 20

SMILES: OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1

InChI Key: InChIKey=IHBOEHLUIBMBMY-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 3 PDB IDs match 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 6 hits for monomerid = 84534   

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 2 (Homo sapiens (Human))	BDBM84534 (Indirubin derivative, 20) Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:12.21| Show InChI InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	500	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				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM84534 (Indirubin derivative, 20) Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:12.21| Show InChI InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	300	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				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM84534 (Indirubin derivative, 20) Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:12.21| Show InChI InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM84534 (Indirubin derivative, 20) Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:12.21| Show InChI InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	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
c-Kit (Homo sapiens (Human))	BDBM84534 (Indirubin derivative, 20) Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:12.21| Show InChI InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	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
Insulin receptor (Homo sapiens (Human))	BDBM84534 (Indirubin derivative, 20) Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:12.21| Show InChI InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	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