BDBM50158505 CHEMBL3786100

SMILES: Nc1ncnc2n(cc(-c3cc(OCC45CCC(CC4)O5)ccc3F)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1

InChI Key: InChIKey=JAXCPMZZRNLZBU-ITXHVEOOSA-N

Data: 3 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 3 hits for monomerid = 50158505   

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
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50158505 (CHEMBL3786100) Show SMILES Nc1ncnc2n(cc(-c3cc(OCC45CCC(CC4)O5)ccc3F)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wD:26.30,28.33,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;8.5,4.87,;10.02,4.88,;10.78,6.2,;9.99,7.52,;8.47,7.51,;9.19,6.61,;3.38,5.56,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;4.94,-8.18,;6.42,-8.61,;7.53,-7.55,;8.72,-7.9,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)| Show InChI InChI=1S/C28H34FN5O3S/c29-24-2-1-21(36-16-28-5-3-20(37-28)4-6-28)13-22(24)23-15-34(27-25(23)26(30)31-17-32-27)19-11-18(12-19)14-33-7-9-38(35)10-8-33/h1-2,13,15,17-20H,3-12,14,16H2,(H2,30,31,32)/t18-,19+,20?,28?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full length IGF-1 receptor (unknown origin) transfected in Ba/F3 cells assessed as cell proliferation				Bioorg Med Chem Lett 26: 2057-64 (2016) BindingDB Entry DOI: 10.7270/Q29K4D4J
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50158505 (CHEMBL3786100) Show SMILES Nc1ncnc2n(cc(-c3cc(OCC45CCC(CC4)O5)ccc3F)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wD:26.30,28.33,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;8.5,4.87,;10.02,4.88,;10.78,6.2,;9.99,7.52,;8.47,7.51,;9.19,6.61,;3.38,5.56,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;4.94,-8.18,;6.42,-8.61,;7.53,-7.55,;8.72,-7.9,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)| Show InChI InChI=1S/C28H34FN5O3S/c29-24-2-1-21(36-16-28-5-3-20(37-28)4-6-28)13-22(24)23-15-34(27-25(23)26(30)31-17-32-27)19-11-18(12-19)14-33-7-9-38(35)10-8-33/h1-2,13,15,17-20H,3-12,14,16H2,(H2,30,31,32)/t18-,19+,20?,28?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full length IGF-1 receptor (unknown origin) autophosphorylation transfected in HEK293 cells pretreated for 60 mins followed by IGF-1 st...				Bioorg Med Chem Lett 26: 2057-64 (2016) BindingDB Entry DOI: 10.7270/Q29K4D4J
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50158505 (CHEMBL3786100) Show SMILES Nc1ncnc2n(cc(-c3cc(OCC45CCC(CC4)O5)ccc3F)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wD:26.30,28.33,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;8.5,4.87,;10.02,4.88,;10.78,6.2,;9.99,7.52,;8.47,7.51,;9.19,6.61,;3.38,5.56,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;4.94,-8.18,;6.42,-8.61,;7.53,-7.55,;8.72,-7.9,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)| Show InChI InChI=1S/C28H34FN5O3S/c29-24-2-1-21(36-16-28-5-3-20(37-28)4-6-28)13-22(24)23-15-34(27-25(23)26(30)31-17-32-27)19-11-18(12-19)14-33-7-9-38(35)10-8-33/h1-2,13,15,17-20H,3-12,14,16H2,(H2,30,31,32)/t18-,19+,20?,28?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of IGF-1 receptor (unknown origin) in presence of [gamma33P]ATP				Bioorg Med Chem Lett 26: 2057-64 (2016) BindingDB Entry DOI: 10.7270/Q29K4D4J
					More data for this Ligand-Target Pair