BDBM50431383 CHEMBL2347405

SMILES: CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2ccc(OC(F)F)cc12

InChI Key: InChIKey=GLPNWSBFGKTKTK-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 = 50431383   

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 SYK (Homo sapiens (Human))	BDBM50431383 (CHEMBL2347405) Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2ccc(OC(F)F)cc12 Show InChI InChI=1S/C19H18F2N6O2/c1-19(2,3)25-17(28)11-7-22-16-15(11)24-13(8-23-16)14-10-6-9(29-18(20)21)4-5-12(10)26-27-14/h4-8,18H,1-3H3,(H,22,23)(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of SYK in human Ramos cells				J Med Chem 56: 1677-92 (2013) Article DOI: 10.1021/jm301720p BindingDB Entry DOI: 10.7270/Q22N53M0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50431383 (CHEMBL2347405) Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2ccc(OC(F)F)cc12 Show InChI InChI=1S/C19H18F2N6O2/c1-19(2,3)25-17(28)11-7-22-16-15(11)24-13(8-23-16)14-10-6-9(29-18(20)21)4-5-12(10)26-27-14/h4-8,18H,1-3H3,(H,22,23)(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate asses...				J Med Chem 56: 1677-92 (2013) Article DOI: 10.1021/jm301720p BindingDB Entry DOI: 10.7270/Q22N53M0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50431383 (CHEMBL2347405) Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2ccc(OC(F)F)cc12 Show InChI InChI=1S/C19H18F2N6O2/c1-19(2,3)25-17(28)11-7-22-16-15(11)24-13(8-23-16)14-10-6-9(29-18(20)21)4-5-12(10)26-27-14/h4-8,18H,1-3H3,(H,22,23)(H,25,28)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 56: 1677-92 (2013) Article DOI: 10.1021/jm301720p BindingDB Entry DOI: 10.7270/Q22N53M0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50431383 (CHEMBL2347405) Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2ccc(OC(F)F)cc12 Show InChI InChI=1S/C19H18F2N6O2/c1-19(2,3)25-17(28)11-7-22-16-15(11)24-13(8-23-16)14-10-6-9(29-18(20)21)4-5-12(10)26-27-14/h4-8,18H,1-3H3,(H,22,23)(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of SYK in human whole blood				J Med Chem 56: 1677-92 (2013) Article DOI: 10.1021/jm301720p BindingDB Entry DOI: 10.7270/Q22N53M0
					More data for this Ligand-Target Pair