BDBM50079393 CHEMBL3417192

SMILES: ONC(=O)CCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2

InChI Key: InChIKey=BSUODNUAOWBMLO-SNAWJCMRSA-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 = 50079393   

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))	BDBM50079393 (CHEMBL3417192) Show SMILES ONC(=O)CCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:11| Show InChI InChI=1S/C28H33N5O3/c34-27(32-35)12-2-1-3-15-33-16-4-5-17-36-21-23-9-6-10-24(18-23)26-13-14-29-28(31-26)30-25-11-7-8-22(19-25)20-33/h4-11,13-14,18-19,35H,1-3,12,15-17,20-21H2,(H,32,34)(H,29,30,31)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	594	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader				Eur J Med Chem 95: 104-15 (2015) Article DOI: 10.1016/j.ejmech.2015.03.034 BindingDB Entry DOI: 10.7270/Q2CZ38WS
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50079393 (CHEMBL3417192) Show SMILES ONC(=O)CCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:11| Show InChI InChI=1S/C28H33N5O3/c34-27(32-35)12-2-1-3-15-33-16-4-5-17-36-21-23-9-6-10-24(18-23)26-13-14-29-28(31-26)30-25-11-7-8-22(19-25)20-33/h4-11,13-14,18-19,35H,1-3,12,15-17,20-21H2,(H,32,34)(H,29,30,31)/b5-4+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader				Eur J Med Chem 95: 104-15 (2015) Article DOI: 10.1016/j.ejmech.2015.03.034 BindingDB Entry DOI: 10.7270/Q2CZ38WS
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50079393 (CHEMBL3417192) Show SMILES ONC(=O)CCCCCN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:11| Show InChI InChI=1S/C28H33N5O3/c34-27(32-35)12-2-1-3-15-33-16-4-5-17-36-21-23-9-6-10-24(18-23)26-13-14-29-28(31-26)30-25-11-7-8-22(19-25)20-33/h4-11,13-14,18-19,35H,1-3,12,15-17,20-21H2,(H,32,34)(H,29,30,31)/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform				Eur J Med Chem 95: 104-15 (2015) Article DOI: 10.1016/j.ejmech.2015.03.034 BindingDB Entry DOI: 10.7270/Q2CZ38WS
					More data for this Ligand-Target Pair