BDBM316743 2-[(1-acryloylpiperidin-4-yl)amino]-N-(4,4,4-trifluorobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide::US9617258, Example 240

SMILES: FC(F)(F)CCCNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12

InChI Key: InChIKey=XMVHONKSUBHIAR-UHFFFAOYSA-N

Data: 2 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 = 316743   

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 JAK3 (Homo sapiens (Human))	BDBM316743 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(4,4,4-trifl...) Show SMILES FC(F)(F)CCCNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C19H23F3N6O2/c1-2-15(29)28-8-4-12(5-9-28)26-14-11-25-17-16(27-14)13(10-24-17)18(30)23-7-3-6-19(20,21)22/h2,10-12H,1,3-9H2,(H,23,30)(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316743 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(4,4,4-trifl...) Show SMILES FC(F)(F)CCCNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C19H23F3N6O2/c1-2-15(29)28-8-4-12(5-9-28)26-14-11-25-17-16(27-14)13(10-24-17)18(30)23-7-3-6-19(20,21)22/h2,10-12H,1,3-9H2,(H,23,30)(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316743 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(4,4,4-trifl...) Show SMILES FC(F)(F)CCCNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C19H23F3N6O2/c1-2-15(29)28-8-4-12(5-9-28)26-14-11-25-17-16(27-14)13(10-24-17)18(30)23-7-3-6-19(20,21)22/h2,10-12H,1,3-9H2,(H,23,30)(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316743 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(4,4,4-trifl...) Show SMILES FC(F)(F)CCCNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C19H23F3N6O2/c1-2-15(29)28-8-4-12(5-9-28)26-14-11-25-17-16(27-14)13(10-24-17)18(30)23-7-3-6-19(20,21)22/h2,10-12H,1,3-9H2,(H,23,30)(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair