BDBM50381096 CHEMBL2017556

SMILES: CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)C(F)F

InChI Key: InChIKey=CQZZZUNOWZUNNG-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 = 50381096   

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 ITK/TSK (Homo sapiens (Human))	BDBM50381096 (CHEMBL2017556) Show SMILES CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)C(F)F Show InChI InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun...				Bioorg Med Chem Lett 22: 3296-300 (2012) Article DOI: 10.1016/j.bmcl.2012.03.016 BindingDB Entry DOI: 10.7270/Q2BG2Q00
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Homo sapiens (Human))	BDBM50381096 (CHEMBL2017556) Show SMILES CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)C(F)F Show InChI InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77.5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Inhibition of Txk autophosphorylation using [33P]ATP by scintillation counting				Bioorg Med Chem Lett 22: 3296-300 (2012) Article DOI: 10.1016/j.bmcl.2012.03.016 BindingDB Entry DOI: 10.7270/Q2BG2Q00
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50381096 (CHEMBL2017556) Show SMILES CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)C(F)F Show InChI InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.2	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Inhibition of Lck autophosphorylation using [33P]ATP by scintillation counting				Bioorg Med Chem Lett 22: 3296-300 (2012) Article DOI: 10.1016/j.bmcl.2012.03.016 BindingDB Entry DOI: 10.7270/Q2BG2Q00
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50381096 (CHEMBL2017556) Show SMILES CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)C(F)F Show InChI InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	358	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminus His6 tagged Syk (343 to 635) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation c...				Bioorg Med Chem Lett 22: 3296-300 (2012) Article DOI: 10.1016/j.bmcl.2012.03.016 BindingDB Entry DOI: 10.7270/Q2BG2Q00
					More data for this Ligand-Target Pair