BDBM50313651 7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(4-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine::CHEMBL1083527

SMILES: Nc1ncnc2n(cc(-c3ccc(OCc4ccccc4)cc3)c12)[C@@H]1C[C@H](CN2CCC2)C1

InChI Key: InChIKey=MJEHBQIPZHTMNZ-GRGXKFILSA-N

Data: 2 IC50  1 EC50

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 = 50313651   

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))	BDBM50313651 (7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(4-(benzyl...) Show SMILES Nc1ncnc2n(cc(-c3ccc(OCc4ccccc4)cc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wU:24.27,26.30,(-1.42,-33.72,;-1.41,-35.26,;-2.74,-36.03,;-2.74,-37.58,;-1.41,-38.35,;-.07,-37.58,;1.41,-38.05,;2.32,-36.79,;1.4,-35.54,;1.86,-34.08,;3.37,-33.75,;3.83,-32.29,;2.8,-31.15,;3.26,-29.68,;4.77,-29.35,;5.23,-27.88,;6.73,-27.56,;7.2,-26.09,;6.16,-24.95,;4.65,-25.29,;4.19,-26.76,;1.29,-31.48,;.82,-32.95,;-.08,-36.03,;1.89,-39.51,;1.2,-40.88,;2.58,-41.58,;3.06,-43.04,;2.04,-44.19,;.5,-44.27,;.59,-45.81,;2.13,-45.72,;3.27,-40.2,)| Show InChI InChI=1S/C27H29N5O/c28-26-25-24(21-7-9-23(10-8-21)33-17-19-5-2-1-3-6-19)16-32(27(25)30-18-29-26)22-13-20(14-22)15-31-11-4-12-31/h1-3,5-10,16,18,20,22H,4,11-15,17H2,(H2,28,29,30)/t20-,22+	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	n/a	n/a	86	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of IGF1R in human TC71 cells assessed as inhibition of Akt phosphorylation by Western blot analysis				J Med Chem 53: 1413-37 (2010) Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50313651 (7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(4-(benzyl...) Show SMILES Nc1ncnc2n(cc(-c3ccc(OCc4ccccc4)cc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wU:24.27,26.30,(-1.42,-33.72,;-1.41,-35.26,;-2.74,-36.03,;-2.74,-37.58,;-1.41,-38.35,;-.07,-37.58,;1.41,-38.05,;2.32,-36.79,;1.4,-35.54,;1.86,-34.08,;3.37,-33.75,;3.83,-32.29,;2.8,-31.15,;3.26,-29.68,;4.77,-29.35,;5.23,-27.88,;6.73,-27.56,;7.2,-26.09,;6.16,-24.95,;4.65,-25.29,;4.19,-26.76,;1.29,-31.48,;.82,-32.95,;-.08,-36.03,;1.89,-39.51,;1.2,-40.88,;2.58,-41.58,;3.06,-43.04,;2.04,-44.19,;.5,-44.27,;.59,-45.81,;2.13,-45.72,;3.27,-40.2,)| Show InChI InChI=1S/C27H29N5O/c28-26-25-24(21-7-9-23(10-8-21)33-17-19-5-2-1-3-6-19)16-32(27(25)30-18-29-26)22-13-20(14-22)15-31-11-4-12-31/h1-3,5-10,16,18,20,22H,4,11-15,17H2,(H2,28,29,30)/t20-,22+	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of IGF1R				J Med Chem 53: 1413-37 (2010) Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50313651 (7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(4-(benzyl...) Show SMILES Nc1ncnc2n(cc(-c3ccc(OCc4ccccc4)cc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wU:24.27,26.30,(-1.42,-33.72,;-1.41,-35.26,;-2.74,-36.03,;-2.74,-37.58,;-1.41,-38.35,;-.07,-37.58,;1.41,-38.05,;2.32,-36.79,;1.4,-35.54,;1.86,-34.08,;3.37,-33.75,;3.83,-32.29,;2.8,-31.15,;3.26,-29.68,;4.77,-29.35,;5.23,-27.88,;6.73,-27.56,;7.2,-26.09,;6.16,-24.95,;4.65,-25.29,;4.19,-26.76,;1.29,-31.48,;.82,-32.95,;-.08,-36.03,;1.89,-39.51,;1.2,-40.88,;2.58,-41.58,;3.06,-43.04,;2.04,-44.19,;.5,-44.27,;.59,-45.81,;2.13,-45.72,;3.27,-40.2,)| Show InChI InChI=1S/C27H29N5O/c28-26-25-24(21-7-9-23(10-8-21)33-17-19-5-2-1-3-6-19)16-32(27(25)30-18-29-26)22-13-20(14-22)15-31-11-4-12-31/h1-3,5-10,16,18,20,22H,4,11-15,17H2,(H2,28,29,30)/t20-,22+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of INSR				J Med Chem 53: 1413-37 (2010) Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0
					More data for this Ligand-Target Pair