BDBM50361216 CHEMBL1934345

SMILES: COc1cccnc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12

InChI Key: InChIKey=SYEQKNIMSSBEHO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50361216   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50361216 (CHEMBL1934345) Show SMILES COc1cccnc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12 Show InChI InChI=1S/C25H27N7O2/c1-34-22-3-2-12-27-24(22)21-9-8-20-15-28-25(30-32(20)21)29-19-6-4-17(5-7-19)18-10-13-31(14-11-18)16-23(26)33/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H2,26,33)(H,29,30)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of FAK in human 293GT cells after 1 hr by luminescence-based spectrophotometry				Bioorg Med Chem Lett 22: 133-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.049 BindingDB Entry DOI: 10.7270/Q2C829R4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361216 (CHEMBL1934345) Show SMILES COc1cccnc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12 Show InChI InChI=1S/C25H27N7O2/c1-34-22-3-2-12-27-24(22)21-9-8-20-15-28-25(30-32(20)21)29-19-6-4-17(5-7-19)18-10-13-31(14-11-18)16-23(26)33/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H2,26,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay				Bioorg Med Chem Lett 22: 133-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.049 BindingDB Entry DOI: 10.7270/Q2C829R4
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50361216 (CHEMBL1934345) Show SMILES COc1cccnc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12 Show InChI InChI=1S/C25H27N7O2/c1-34-22-3-2-12-27-24(22)21-9-8-20-15-28-25(30-32(20)21)29-19-6-4-17(5-7-19)18-10-13-31(14-11-18)16-23(26)33/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H2,26,33)(H,29,30)	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	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FAK expressed in baculovirus expression system after 30 mins by time resolved fluorescence assay				Bioorg Med Chem Lett 22: 133-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.049 BindingDB Entry DOI: 10.7270/Q2C829R4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361216 (CHEMBL1934345) Show SMILES COc1cccnc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12 Show InChI InChI=1S/C25H27N7O2/c1-34-22-3-2-12-27-24(22)21-9-8-20-15-28-25(30-32(20)21)29-19-6-4-17(5-7-19)18-10-13-31(14-11-18)16-23(26)33/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H2,26,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay				Bioorg Med Chem Lett 22: 133-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.049 BindingDB Entry DOI: 10.7270/Q2C829R4
					More data for this Ligand-Target Pair