BDBM366981 4,4,4-trifluoro-1-[4-[2- [4-[4-(3- pyridylmethyl) piperidine-1- carbonyl]anilino]- [1,2,4]triazolo[1,5- a]pyridin-8-yl]-3,6- dihydro-2H-pyridin-1- yl]butan-1-one::US9873709, Example 2-277

SMILES: FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4cccnc4)CC3)nc12

InChI Key: InChIKey=PNQQANXEIWZSLT-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 366981   

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 JAK2 (Homo sapiens (Human))	BDBM366981 (4,4,4-trifluoro-1-[4-[2- [4-[4-(3- pyridylmethyl) ...) Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4cccnc4)CC3)nc12 |c:11| Show InChI InChI=1S/C33H34F3N7O2/c34-33(35,36)14-9-29(44)41-19-12-25(13-20-41)28-4-2-16-43-30(28)39-32(40-43)38-27-7-5-26(6-8-27)31(45)42-17-10-23(11-18-42)21-24-3-1-15-37-22-24/h1-8,12,15-16,22-23H,9-11,13-14,17-21H2,(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2CC130F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM366981 (4,4,4-trifluoro-1-[4-[2- [4-[4-(3- pyridylmethyl) ...) Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCC(Cc4cccnc4)CC3)nc12 |c:11| Show InChI InChI=1S/C33H34F3N7O2/c34-33(35,36)14-9-29(44)41-19-12-25(13-20-41)28-4-2-16-43-30(28)39-32(40-43)38-27-7-5-26(6-8-27)31(45)42-17-10-23(11-18-42)21-24-3-1-15-37-22-24/h1-8,12,15-16,22-23H,9-11,13-14,17-21H2,(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2CC130F
					More data for this Ligand-Target Pair