BDBM84649 TC-28

SMILES: CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1

InChI Key: InChIKey=RXMATXXHYMCLLO-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 84649   

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
Aurora kinase A (Homo sapiens (Human))	BDBM84649 (TC-28) Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1 Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	7.5	4
Parc de Recerca Biomedica de Barcelona					Assay Description The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...				Chembiochem 10: 464-78 (2009) Article DOI: 10.1002/cbic.200800600 BindingDB Entry DOI: 10.7270/Q24F1P8K
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM84649 (TC-28) Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1 Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	4
Parc de Recerca Biomedica de Barcelona					Assay Description The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...				Chembiochem 10: 464-78 (2009) Article DOI: 10.1002/cbic.200800600 BindingDB Entry DOI: 10.7270/Q24F1P8K
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM84649 (TC-28) Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1 Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	4
Parc de Recerca Biomedica de Barcelona					Assay Description The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...				Chembiochem 10: 464-78 (2009) Article DOI: 10.1002/cbic.200800600 BindingDB Entry DOI: 10.7270/Q24F1P8K
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM84649 (TC-28) Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1 Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	4
Parc de Recerca Biomedica de Barcelona					Assay Description The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...				Chembiochem 10: 464-78 (2009) Article DOI: 10.1002/cbic.200800600 BindingDB Entry DOI: 10.7270/Q24F1P8K
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM84649 (TC-28) Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1 Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	4
Parc de Recerca Biomedica de Barcelona					Assay Description The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...				Chembiochem 10: 464-78 (2009) Article DOI: 10.1002/cbic.200800600 BindingDB Entry DOI: 10.7270/Q24F1P8K
					More data for this Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM84649 (TC-28) Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1 Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	4
Parc de Recerca Biomedica de Barcelona					Assay Description The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...				Chembiochem 10: 464-78 (2009) Article DOI: 10.1002/cbic.200800600 BindingDB Entry DOI: 10.7270/Q24F1P8K
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM84649 (TC-28) Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1 Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	4
Parc de Recerca Biomedica de Barcelona					Assay Description The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...				Chembiochem 10: 464-78 (2009) Article DOI: 10.1002/cbic.200800600 BindingDB Entry DOI: 10.7270/Q24F1P8K
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM84649 (TC-28) Show SMILES CC(C)Nc1nc(nc2ccc(cc12)C#CCO)-c1ccco1 Show InChI InChI=1S/C18H17N3O2/c1-12(2)19-17-14-11-13(5-3-9-22)7-8-15(14)20-18(21-17)16-6-4-10-23-16/h4,6-8,10-12,22H,9H2,1-2H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	4
Parc de Recerca Biomedica de Barcelona					Assay Description The IC50 for the different compounds was determined with Invitrogen Z'-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufactur...				Chembiochem 10: 464-78 (2009) Article DOI: 10.1002/cbic.200800600 BindingDB Entry DOI: 10.7270/Q24F1P8K
					More data for this Ligand-Target Pair