BDBM316765 2-[(1-acryloylpiperidin-4-yl)amino]-N-(8-cyanooctyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide::US9617258, Example 260

SMILES: C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCCCCCCCCC#N)c2n1

InChI Key: InChIKey=IZGCFPHNSVHRSM-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 = 316765   

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))	BDBM316765 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(8-cyanoocty...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCCCCCCCCC#N)c2n1 Show InChI InChI=1S/C24H33N7O2/c1-2-21(32)31-14-10-18(11-15-31)29-20-17-28-23-22(30-20)19(16-27-23)24(33)26-13-9-7-5-3-4-6-8-12-25/h2,16-18H,1,3-11,13-15H2,(H,26,33)(H,27,28)(H,29,30)	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))	BDBM316765 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(8-cyanoocty...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCCCCCCCCC#N)c2n1 Show InChI InChI=1S/C24H33N7O2/c1-2-21(32)31-14-10-18(11-15-31)29-20-17-28-23-22(30-20)19(16-27-23)24(33)26-13-9-7-5-3-4-6-8-12-25/h2,16-18H,1,3-11,13-15H2,(H,26,33)(H,27,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	14.7	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))	BDBM316765 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(8-cyanoocty...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCCCCCCCCC#N)c2n1 Show InChI InChI=1S/C24H33N7O2/c1-2-21(32)31-14-10-18(11-15-31)29-20-17-28-23-22(30-20)19(16-27-23)24(33)26-13-9-7-5-3-4-6-8-12-25/h2,16-18H,1,3-11,13-15H2,(H,26,33)(H,27,28)(H,29,30)	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))	BDBM316765 (2-[(1-acryloylpiperidin-4-yl)amino]-N-(8-cyanoocty...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCCCCCCCCC#N)c2n1 Show InChI InChI=1S/C24H33N7O2/c1-2-21(32)31-14-10-18(11-15-31)29-20-17-28-23-22(30-20)19(16-27-23)24(33)26-13-9-7-5-3-4-6-8-12-25/h2,16-18H,1,3-11,13-15H2,(H,26,33)(H,27,28)(H,29,30)	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	14.7	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