BDBM50156123 CHEMBL3780219

SMILES: CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

InChI Key: InChIKey=GXMFPDCIAWSZFR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50156123   

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 ABL1 (Homo sapiens (Human))	BDBM50156123 (CHEMBL3780219) Show SMILES CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H26F3N7O2/c1-15-7-9-19(12-22(15)32)36-27-34-14-21(24(33-3)38-27)26(40)37-23-13-20(10-8-16(23)2)35-25(39)17-5-4-6-18(11-17)28(29,30)31/h4-14H,32H2,1-3H3,(H,35,39)(H,37,40)(H2,33,34,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of full length recombinant human ABL1 expressed in Baculovirus expression system				J Med Chem 59: 1984-2004 (2016) BindingDB Entry DOI: 10.7270/Q26T0PJ6
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50156123 (CHEMBL3780219) Show SMILES CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H26F3N7O2/c1-15-7-9-19(12-22(15)32)36-27-34-14-21(24(33-3)38-27)26(40)37-23-13-20(10-8-16(23)2)35-25(39)17-5-4-6-18(11-17)28(29,30)31/h4-14H,32H2,1-3H3,(H,35,39)(H,37,40)(H2,33,34,36,38)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	292	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of GST-tagged human DDR1 (440 to 876 residues) expressed in Baculovirus expression system				J Med Chem 59: 1984-2004 (2016) BindingDB Entry DOI: 10.7270/Q26T0PJ6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50156123 (CHEMBL3780219) Show SMILES CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H26F3N7O2/c1-15-7-9-19(12-22(15)32)36-27-34-14-21(24(33-3)38-27)26(40)37-23-13-20(10-8-16(23)2)35-25(39)17-5-4-6-18(11-17)28(29,30)31/h4-14H,32H2,1-3H3,(H,35,39)(H,37,40)(H2,33,34,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged SRC expressed in Baculovirus expression system				J Med Chem 59: 1984-2004 (2016) BindingDB Entry DOI: 10.7270/Q26T0PJ6
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50156123 (CHEMBL3780219) Show SMILES CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H26F3N7O2/c1-15-7-9-19(12-22(15)32)36-27-34-14-21(24(33-3)38-27)26(40)37-23-13-20(10-8-16(23)2)35-25(39)17-5-4-6-18(11-17)28(29,30)31/h4-14H,32H2,1-3H3,(H,35,39)(H,37,40)(H2,33,34,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of His-tagged recombinant human c-Kit without catalytic domain expressed in mammalian expression system				J Med Chem 59: 1984-2004 (2016) BindingDB Entry DOI: 10.7270/Q26T0PJ6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50156123 (CHEMBL3780219) Show SMILES CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H26F3N7O2/c1-15-7-9-19(12-22(15)32)36-27-34-14-21(24(33-3)38-27)26(40)37-23-13-20(10-8-16(23)2)35-25(39)17-5-4-6-18(11-17)28(29,30)31/h4-14H,32H2,1-3H3,(H,35,39)(H,37,40)(H2,33,34,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of full length recombinant GST-tagged human p38-alpha expressed in Escherichia coli				J Med Chem 59: 1984-2004 (2016) BindingDB Entry DOI: 10.7270/Q26T0PJ6
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50156123 (CHEMBL3780219) Show SMILES CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H26F3N7O2/c1-15-7-9-19(12-22(15)32)36-27-34-14-21(24(33-3)38-27)26(40)37-23-13-20(10-8-16(23)2)35-25(39)17-5-4-6-18(11-17)28(29,30)31/h4-14H,32H2,1-3H3,(H,35,39)(H,37,40)(H2,33,34,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	457	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged DDR2 expressed in Baculovirus expression system				J Med Chem 59: 1984-2004 (2016) BindingDB Entry DOI: 10.7270/Q26T0PJ6
					More data for this Ligand-Target Pair