BDBM324562 1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(3- (trifluoromethyl)- cyclobutanecarbonyl]-3,8- diazabicyclo[3.2.1]octan- 3-yl]-[1,2,4]triazolo[1,5-a] pyridin-2- yl]amino]pyrazol-1- yl]propan-1-one::US10189836, Example 125::US10189836, Example 126

SMILES: CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1

InChI Key: InChIKey=MATYHLHHWZXCAX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 324562   

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))	BDBM324562 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(3- (trifl...) Show SMILES CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-1.55,-1.23,;-2.96,-.61,;-4.19,-1.55,;-4,-3.07,;-5.61,-.95,;-5.81,.58,;-7.23,1.17,;-8.45,.24,;-9.87,.83,;-8.26,-1.29,;-6.84,-1.88,;-3.12,.92,;-1.96,1.94,;-2.58,3.35,;-1.8,4.68,;-.26,4.68,;.64,3.44,;2.11,3.92,;3.44,3.15,;4.78,3.92,;4.77,5.46,;3.44,6.23,;2.11,5.46,;.64,5.93,;3.45,1.61,;2.12,.84,;2.12,-.7,;2.89,.63,;4.02,.63,;4.79,-.7,;4.78,.84,;3.45,-1.47,;3.46,-3.01,;2.13,-3.79,;4.79,-3.78,;5.56,-5.11,;6.9,-4.34,;6.13,-3.01,;8.38,-4.74,;9.47,-3.65,;8.78,-6.23,;9.87,-5.14,;-4.11,3.2,;-4.44,1.7,)| Show InChI InChI=1S/C29H37F3N10O2/c1-18(26(43)38-10-8-37(2)9-11-38)41-15-21(14-33-41)34-28-35-25-24(4-3-7-40(25)36-28)39-16-22-5-6-23(17-39)42(22)27(44)19-12-20(13-19)29(30,31)32/h3-4,7,14-15,18-20,22-23H,5-6,8-13,16-17H2,1-2H3,(H,34,36)	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM324562 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(3- (trifl...) Show SMILES CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-1.55,-1.23,;-2.96,-.61,;-4.19,-1.55,;-4,-3.07,;-5.61,-.95,;-5.81,.58,;-7.23,1.17,;-8.45,.24,;-9.87,.83,;-8.26,-1.29,;-6.84,-1.88,;-3.12,.92,;-1.96,1.94,;-2.58,3.35,;-1.8,4.68,;-.26,4.68,;.64,3.44,;2.11,3.92,;3.44,3.15,;4.78,3.92,;4.77,5.46,;3.44,6.23,;2.11,5.46,;.64,5.93,;3.45,1.61,;2.12,.84,;2.12,-.7,;2.89,.63,;4.02,.63,;4.79,-.7,;4.78,.84,;3.45,-1.47,;3.46,-3.01,;2.13,-3.79,;4.79,-3.78,;5.56,-5.11,;6.9,-4.34,;6.13,-3.01,;8.38,-4.74,;9.47,-3.65,;8.78,-6.23,;9.87,-5.14,;-4.11,3.2,;-4.44,1.7,)| Show InChI InChI=1S/C29H37F3N10O2/c1-18(26(43)38-10-8-37(2)9-11-38)41-15-21(14-33-41)34-28-35-25-24(4-3-7-40(25)36-28)39-16-22-5-6-23(17-39)42(22)27(44)19-12-20(13-19)29(30,31)32/h3-4,7,14-15,18-20,22-23H,5-6,8-13,16-17H2,1-2H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	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 JAK2 (Homo sapiens (Human))	BDBM324562 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(3- (trifl...) Show SMILES CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-1.55,-1.23,;-2.96,-.61,;-4.19,-1.55,;-4,-3.07,;-5.61,-.95,;-5.81,.58,;-7.23,1.17,;-8.45,.24,;-9.87,.83,;-8.26,-1.29,;-6.84,-1.88,;-3.12,.92,;-1.96,1.94,;-2.58,3.35,;-1.8,4.68,;-.26,4.68,;.64,3.44,;2.11,3.92,;3.44,3.15,;4.78,3.92,;4.77,5.46,;3.44,6.23,;2.11,5.46,;.64,5.93,;3.45,1.61,;2.12,.84,;2.12,-.7,;2.89,.63,;4.02,.63,;4.79,-.7,;4.78,.84,;3.45,-1.47,;3.46,-3.01,;2.13,-3.79,;4.79,-3.78,;5.56,-5.11,;6.9,-4.34,;6.13,-3.01,;8.38,-4.74,;9.47,-3.65,;8.78,-6.23,;9.87,-5.14,;-4.11,3.2,;-4.44,1.7,)| Show InChI InChI=1S/C29H37F3N10O2/c1-18(26(43)38-10-8-37(2)9-11-38)41-15-21(14-33-41)34-28-35-25-24(4-3-7-40(25)36-28)39-16-22-5-6-23(17-39)42(22)27(44)19-12-20(13-19)29(30,31)32/h3-4,7,14-15,18-20,22-23H,5-6,8-13,16-17H2,1-2H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	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))	BDBM324562 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(3- (trifl...) Show SMILES CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-1.55,-1.23,;-2.96,-.61,;-4.19,-1.55,;-4,-3.07,;-5.61,-.95,;-5.81,.58,;-7.23,1.17,;-8.45,.24,;-9.87,.83,;-8.26,-1.29,;-6.84,-1.88,;-3.12,.92,;-1.96,1.94,;-2.58,3.35,;-1.8,4.68,;-.26,4.68,;.64,3.44,;2.11,3.92,;3.44,3.15,;4.78,3.92,;4.77,5.46,;3.44,6.23,;2.11,5.46,;.64,5.93,;3.45,1.61,;2.12,.84,;2.12,-.7,;2.89,.63,;4.02,.63,;4.79,-.7,;4.78,.84,;3.45,-1.47,;3.46,-3.01,;2.13,-3.79,;4.79,-3.78,;5.56,-5.11,;6.9,-4.34,;6.13,-3.01,;8.38,-4.74,;9.47,-3.65,;8.78,-6.23,;9.87,-5.14,;-4.11,3.2,;-4.44,1.7,)| Show InChI InChI=1S/C29H37F3N10O2/c1-18(26(43)38-10-8-37(2)9-11-38)41-15-21(14-33-41)34-28-35-25-24(4-3-7-40(25)36-28)39-16-22-5-6-23(17-39)42(22)27(44)19-12-20(13-19)29(30,31)32/h3-4,7,14-15,18-20,22-23H,5-6,8-13,16-17H2,1-2H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	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