BDBM316748 2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluorocyclobutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide::US9617258, Example 245

SMILES: FC1(F)CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12

InChI Key: InChIKey=CEFDSPYTLGXDPS-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 = 316748   

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))	BDBM316748 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluor...) Show SMILES FC1(F)CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C19H22F2N6O2/c1-2-15(28)27-5-3-11(4-6-27)24-14-10-23-17-16(26-14)13(9-22-17)18(29)25-12-7-19(20,21)8-12/h2,9-12H,1,3-8H2,(H,22,23)(H,24,26)(H,25,29)	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	0.200	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))	BDBM316748 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluor...) Show SMILES FC1(F)CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C19H22F2N6O2/c1-2-15(28)27-5-3-11(4-6-27)24-14-10-23-17-16(26-14)13(9-22-17)18(29)25-12-7-19(20,21)8-12/h2,9-12H,1,3-8H2,(H,22,23)(H,24,26)(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17.9	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))	BDBM316748 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluor...) Show SMILES FC1(F)CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C19H22F2N6O2/c1-2-15(28)27-5-3-11(4-6-27)24-14-10-23-17-16(26-14)13(9-22-17)18(29)25-12-7-19(20,21)8-12/h2,9-12H,1,3-8H2,(H,22,23)(H,24,26)(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	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))	BDBM316748 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluor...) Show SMILES FC1(F)CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C19H22F2N6O2/c1-2-15(28)27-5-3-11(4-6-27)24-14-10-23-17-16(26-14)13(9-22-17)18(29)25-12-7-19(20,21)8-12/h2,9-12H,1,3-8H2,(H,22,23)(H,24,26)(H,25,29)	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	17.9	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