BDBM324513 1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8-[3- (trifluoromethyl)cyclo- butanecarbonyl]-3,8- diazabicyclo[3.2.1]octan- 3-yl]-[1,2,4]triazolo[1,5-a] pyridin-2- yl]amino]pyrazol-1- yl]ethanone::US10189836, Example 82

SMILES: FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12

InChI Key: InChIKey=CFEKLCCVPHTVTD-QTBVYMFASA-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 = 324513   

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))	BDBM324513 (1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8...) Show SMILES FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12 |r,wU:6.8,4.3,(12.15,-6.04,;10.81,-5.27,;10.04,-6.6,;11.58,-3.93,;9.48,-4.5,;9.08,-3.01,;7.59,-3.41,;7.99,-4.9,;6.26,-2.64,;4.93,-3.41,;6.26,-1.1,;4.93,-.33,;5.53,.52,;6.99,.52,;7.59,-.33,;7.59,1.21,;6.26,1.98,;4.93,1.21,;6.26,3.52,;7.59,4.29,;7.59,5.83,;6.25,6.6,;4.92,5.83,;3.46,6.3,;2.55,5.05,;1.01,5.05,;.24,3.72,;.87,2.31,;-.27,1.28,;-1.61,2.05,;-3.07,1.58,;-4.22,2.61,;-3.9,4.11,;-5.68,2.13,;-6.83,3.16,;-8.29,2.69,;-8.61,1.18,;-7.47,.15,;-6,.62,;-10.08,.7,;-11.45,1.4,;-12.15,.03,;-10.78,-.67,;-1.29,3.56,;3.46,3.81,;4.92,4.29,)| Show InChI InChI=1S/C30H37F3N10O2S/c31-30(32,33)20-10-19(11-20)28(45)43-22-3-4-23(43)15-40(14-22)25-2-1-5-42-27(25)36-29(37-42)35-21-12-34-41(13-21)16-26(44)39-8-6-38(7-9-39)24-17-46-18-24/h1-2,5,12-13,19-20,22-24H,3-4,6-11,14-18H2,(H,35,37)/t19-,20+,22?,23?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					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...				US Patent US10189836 (2019) BindingDB Entry DOI: 10.7270/Q2G162XH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM324513 (1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8...) Show SMILES FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12 |r,wU:6.8,4.3,(12.15,-6.04,;10.81,-5.27,;10.04,-6.6,;11.58,-3.93,;9.48,-4.5,;9.08,-3.01,;7.59,-3.41,;7.99,-4.9,;6.26,-2.64,;4.93,-3.41,;6.26,-1.1,;4.93,-.33,;5.53,.52,;6.99,.52,;7.59,-.33,;7.59,1.21,;6.26,1.98,;4.93,1.21,;6.26,3.52,;7.59,4.29,;7.59,5.83,;6.25,6.6,;4.92,5.83,;3.46,6.3,;2.55,5.05,;1.01,5.05,;.24,3.72,;.87,2.31,;-.27,1.28,;-1.61,2.05,;-3.07,1.58,;-4.22,2.61,;-3.9,4.11,;-5.68,2.13,;-6.83,3.16,;-8.29,2.69,;-8.61,1.18,;-7.47,.15,;-6,.62,;-10.08,.7,;-11.45,1.4,;-12.15,.03,;-10.78,-.67,;-1.29,3.56,;3.46,3.81,;4.92,4.29,)| Show InChI InChI=1S/C30H37F3N10O2S/c31-30(32,33)20-10-19(11-20)28(45)43-22-3-4-23(43)15-40(14-22)25-2-1-5-42-27(25)36-29(37-42)35-21-12-34-41(13-21)16-26(44)39-8-6-38(7-9-39)24-17-46-18-24/h1-2,5,12-13,19-20,22-24H,3-4,6-11,14-18H2,(H,35,37)/t19-,20+,22?,23?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					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...				US Patent US10189836 (2019) BindingDB Entry DOI: 10.7270/Q2G162XH
					More data for this Ligand-Target Pair