Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.5 BDBM50349771

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

Found 3 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
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50349771 (CHEMBL1809192) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H25N7O2/c1-17(32)29-11-13-30(14-12-29)18-6-7-20(22(15-18)33-2)28-24-25-9-8-19(27-24)21-16-26-23-5-3-4-10-31(21)23/h3-10,15-16H,11-14H2,1-2H3,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 21: 4698-701 (2011) Article DOI: 10.1016/j.bmcl.2011.06.093 BindingDB Entry DOI: 10.7270/Q2GF0TVK
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50349771 (CHEMBL1809192) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H25N7O2/c1-17(32)29-11-13-30(14-12-29)18-6-7-20(22(15-18)33-2)28-24-25-9-8-19(27-24)21-16-26-23-5-3-4-10-31(21)23/h3-10,15-16H,11-14H2,1-2H3,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IGF1-induced autophosphorylation of human recombinant IGF1R expressed in mouse fibroblasts by high throughput assay				Bioorg Med Chem Lett 21: 4698-701 (2011) Article DOI: 10.1016/j.bmcl.2011.06.093 BindingDB Entry DOI: 10.7270/Q2GF0TVK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50349771 (CHEMBL1809192) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H25N7O2/c1-17(32)29-11-13-30(14-12-29)18-6-7-20(22(15-18)33-2)28-24-25-9-8-19(27-24)21-16-26-23-5-3-4-10-31(21)23/h3-10,15-16H,11-14H2,1-2H3,(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 21: 4698-701 (2011) Article DOI: 10.1016/j.bmcl.2011.06.093 BindingDB Entry DOI: 10.7270/Q2GF0TVK
					More data for this Ligand-Target Pair