BDBM50158490 CHEMBL3787630

SMILES: Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1

InChI Key: InChIKey=DAUUMCBTWTZUHH-DWLFOUALSA-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 = 50158490   

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))	BDBM50158490 (CHEMBL3787630) Show SMILES Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wD:23.26,16.15,25.29,(-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,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.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,-7.89,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)| Show InChI InChI=1S/C26H33N5O3S/c27-25-24-23(19-3-1-4-21(13-19)34-16-22-5-2-8-33-22)15-31(26(24)29-17-28-25)20-11-18(12-20)14-30-6-9-35(32)10-7-30/h1,3-4,13,15,17-18,20,22H,2,5-12,14,16H2,(H2,27,28,29)/t18-,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	232	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))	BDBM50158490 (CHEMBL3787630) Show SMILES Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wD:23.26,16.15,25.29,(-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,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.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,-7.89,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)| Show InChI InChI=1S/C26H33N5O3S/c27-25-24-23(19-3-1-4-21(13-19)34-16-22-5-2-8-33-22)15-31(26(24)29-17-28-25)20-11-18(12-20)14-30-6-9-35(32)10-7-30/h1,3-4,13,15,17-18,20,22H,2,5-12,14,16H2,(H2,27,28,29)/t18-,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	80	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
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50158490 (CHEMBL3787630) Show SMILES Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wD:23.26,16.15,25.29,(-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,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.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,-7.89,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)| Show InChI InChI=1S/C26H33N5O3S/c27-25-24-23(19-3-1-4-21(13-19)34-16-22-5-2-8-33-22)15-31(26(24)29-17-28-25)20-11-18(12-20)14-30-6-9-35(32)10-7-30/h1,3-4,13,15,17-18,20,22H,2,5-12,14,16H2,(H2,27,28,29)/t18-,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	92	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