BDBM50361222 CHEMBL1934351

SMILES: NC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4cccc5cccnc45)n3n2)cc1

InChI Key: InChIKey=SMOLATMZTWOLFX-UHFFFAOYSA-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 = 50361222   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361222 (CHEMBL1934351) Show SMILES NC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4cccc5cccnc45)n3n2)cc1 Show InChI InChI=1S/C28H27N7O/c29-26(36)18-34-15-12-20(13-16-34)19-6-8-22(9-7-19)32-28-31-17-23-10-11-25(35(23)33-28)24-5-1-3-21-4-2-14-30-27(21)24/h1-11,14,17,20H,12-13,15-16,18H2,(H2,29,36)(H,32,33)	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	6.30	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50361222 (CHEMBL1934351) Show SMILES NC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4cccc5cccnc45)n3n2)cc1 Show InChI InChI=1S/C28H27N7O/c29-26(36)18-34-15-12-20(13-16-34)19-6-8-22(9-7-19)32-28-31-17-23-10-11-25(35(23)33-28)24-5-1-3-21-4-2-14-30-27(21)24/h1-11,14,17,20H,12-13,15-16,18H2,(H2,29,36)(H,32,33)	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	170	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))	BDBM50361222 (CHEMBL1934351) Show SMILES NC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4cccc5cccnc45)n3n2)cc1 Show InChI InChI=1S/C28H27N7O/c29-26(36)18-34-15-12-20(13-16-34)19-6-8-22(9-7-19)32-28-31-17-23-10-11-25(35(23)33-28)24-5-1-3-21-4-2-14-30-27(21)24/h1-11,14,17,20H,12-13,15-16,18H2,(H2,29,36)(H,32,33)	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	167	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