BDBM316735 2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1-hydroxycyclopentyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide::US9617258, Example 232

SMILES: OC1(CNC(=O)c2c[nH]c3ncc(NC4CCN(CC4)C(=O)C=C)nc23)CCCC1

InChI Key: InChIKey=YXWJCOMYJKBGCZ-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 = 316735   

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))	BDBM316735 (2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1-hydroxyc...) Show SMILES OC1(CNC(=O)c2c[nH]c3ncc(NC4CCN(CC4)C(=O)C=C)nc23)CCCC1 Show InChI InChI=1S/C21H28N6O3/c1-2-17(28)27-9-5-14(6-10-27)25-16-12-23-19-18(26-16)15(11-22-19)20(29)24-13-21(30)7-3-4-8-21/h2,11-12,14,30H,1,3-10,13H2,(H,22,23)(H,24,29)(H,25,26)	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	0.300	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))	BDBM316735 (2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1-hydroxyc...) Show SMILES OC1(CNC(=O)c2c[nH]c3ncc(NC4CCN(CC4)C(=O)C=C)nc23)CCCC1 Show InChI InChI=1S/C21H28N6O3/c1-2-17(28)27-9-5-14(6-10-27)25-16-12-23-19-18(26-16)15(11-22-19)20(29)24-13-21(30)7-3-4-8-21/h2,11-12,14,30H,1,3-10,13H2,(H,22,23)(H,24,29)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	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))	BDBM316735 (2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1-hydroxyc...) Show SMILES OC1(CNC(=O)c2c[nH]c3ncc(NC4CCN(CC4)C(=O)C=C)nc23)CCCC1 Show InChI InChI=1S/C21H28N6O3/c1-2-17(28)27-9-5-14(6-10-27)25-16-12-23-19-18(26-16)15(11-22-19)20(29)24-13-21(30)7-3-4-8-21/h2,11-12,14,30H,1,3-10,13H2,(H,22,23)(H,24,29)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	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))	BDBM316735 (2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1-hydroxyc...) Show SMILES OC1(CNC(=O)c2c[nH]c3ncc(NC4CCN(CC4)C(=O)C=C)nc23)CCCC1 Show InChI InChI=1S/C21H28N6O3/c1-2-17(28)27-9-5-14(6-10-27)25-16-12-23-19-18(26-16)15(11-22-19)20(29)24-13-21(30)7-3-4-8-21/h2,11-12,14,30H,1,3-10,13H2,(H,22,23)(H,24,29)(H,25,26)	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	25	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