BDBM84553 Indirubin derivative, 28a::Indirubin derivative, 28b

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

InChI Key: InChIKey=BBKQDKWGGKCIQA-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 = 84553   

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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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	70	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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))	BDBM84553 (Indirubin derivative, 28a | Indirubin derivative, ...) Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18| Show InChI InChI=1S/C22H26N4O4S/c1-22(28)16-7-5-6-8-18(16)23-20(22)19-15-13-14(9-10-17(15)24-21(19)27)31(29,30)26(4)12-11-25(2)3/h5-10,13,19,28H,11-12H2,1-4H3,(H,24,27)	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