BDBM50313645 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL1081312

SMILES: Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1

InChI Key: InChIKey=NVRXTLZYXZNATH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50313645   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50313645 (1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H...) Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 Show InChI InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of wild type Bcr-Abl				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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50313645 (1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H...) Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 Show InChI InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of VEGFR2				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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50313645 (1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H...) Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 Show InChI InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences, Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ...				Bioorg Med Chem Lett 27: 750-754 (2017) Article DOI: 10.1016/j.bmcl.2017.01.045 BindingDB Entry DOI: 10.7270/Q28918G5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50313645 (1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H...) Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 Show InChI InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of PI3K p110-alpha				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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50313645 (1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H...) Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 Show InChI InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of mTOR				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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50313645 (1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H...) Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCCC1 Show InChI InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of Src				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