BDBM84555 Indirubin derivative, 30a::Indirubin derivative, 30b

SMILES: CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1

InChI Key: InChIKey=SJDBWFBIDFWMRX-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 84555   

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))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	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	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))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	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	600	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))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	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	>1.00E+4	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))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	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	>1.00E+4	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
Insulin receptor (Homo sapiens (Human))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	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	>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))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid 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))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid 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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	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	>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))	BDBM84555 (Indirubin derivative, 30a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18| Show InChI InChI=1S/C24H28N4O4S/c1-5-12-24(30)18-8-6-7-9-20(18)25-22(24)21-17-15-16(10-11-19(17)26-23(21)29)33(31,32)28(4)14-13-27(2)3/h5-11,15,21,30H,1,12-14H2,2-4H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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