BDBM50170224 CHEMBL3804972

SMILES: CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1

InChI Key: InChIKey=LLDMEDJNOJVTEE-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 = 50170224   

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
Bcr-Abl (Homo sapiens (Human))	BDBM50170224 (CHEMBL3804972) Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40)	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
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50170224 (CHEMBL3804972) Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40)	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	7.70E+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 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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50170224 (CHEMBL3804972) Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank 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 full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...				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))	BDBM50170224 (CHEMBL3804972) Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	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