BDBM50170213 CHEMBL3806141

SMILES: CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=AUPYVVPKMKSJTA-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 = 50170213   

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
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50170213 (CHEMBL3806141) Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-22-3-6-23(17-25(22)27(28,29)30)32-26(35)19-36-24-7-4-20(5-8-24)21-9-11-31-12-10-21/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50170213 (CHEMBL3806141) Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-22-3-6-23(17-25(22)27(28,29)30)32-26(35)19-36-24-7-4-20(5-8-24)21-9-11-31-12-10-21/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50170213 (CHEMBL3806141) Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-22-3-6-23(17-25(22)27(28,29)30)32-26(35)19-36-24-7-4-20(5-8-24)21-9-11-31-12-10-21/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...				J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3
					More data for this Ligand-Target Pair