BDBM316836 US9617258, Example 339

SMILES: CC(C)NC(=O)c1c[nH]c2ncc(OC3CCN(CC3)C(=O)C=C)nc12

InChI Key: InChIKey=CHMSIZUPBDVXRR-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 = 316836   

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))	BDBM316836 (US11111242, Example 339 | US9617258, Example 339) Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(OC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C18H23N5O3/c1-4-15(24)23-7-5-12(6-8-23)26-14-10-20-17-16(22-14)13(9-19-17)18(25)21-11(2)3/h4,9-12H,1,5-8H2,2-3H3,(H,19,20)(H,21,25)	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))	BDBM316836 (US11111242, Example 339 | US9617258, Example 339) Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(OC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C18H23N5O3/c1-4-15(24)23-7-5-12(6-8-23)26-14-10-20-17-16(22-14)13(9-19-17)18(25)21-11(2)3/h4,9-12H,1,5-8H2,2-3H3,(H,19,20)(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17.5	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))	BDBM316836 (US11111242, Example 339 | US9617258, Example 339) Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(OC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C18H23N5O3/c1-4-15(24)23-7-5-12(6-8-23)26-14-10-20-17-16(22-14)13(9-19-17)18(25)21-11(2)3/h4,9-12H,1,5-8H2,2-3H3,(H,19,20)(H,21,25)	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))	BDBM316836 (US11111242, Example 339 | US9617258, Example 339) Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(OC3CCN(CC3)C(=O)C=C)nc12 Show InChI InChI=1S/C18H23N5O3/c1-4-15(24)23-7-5-12(6-8-23)26-14-10-20-17-16(22-14)13(9-19-17)18(25)21-11(2)3/h4,9-12H,1,5-8H2,2-3H3,(H,19,20)(H,21,25)	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	17.5	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