BDBM324429 1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-[3- (trifluoromethyl)azetidine- 1-carbonyl]-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 2::US10189836, Example 43

SMILES: CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1

InChI Key: InChIKey=GGDXYLLUEIZWEY-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 = 324429   

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))	BDBM324429 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-[3- (trifl...) Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1 Show InChI InChI=1S/C27H34F3N11O2/c1-35-7-9-36(10-8-35)23(42)17-39-14-19(11-31-39)32-25-33-24-22(3-2-6-40(24)34-25)37-15-20-4-5-21(16-37)41(20)26(43)38-12-18(13-38)27(28,29)30/h2-3,6,11,14,18,20-21H,4-5,7-10,12-13,15-17H2,1H3,(H,32,34)	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))	BDBM324429 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-[3- (trifl...) Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1 Show InChI InChI=1S/C27H34F3N11O2/c1-35-7-9-36(10-8-35)23(42)17-39-14-19(11-31-39)32-25-33-24-22(3-2-6-40(24)34-25)37-15-20-4-5-21(16-37)41(20)26(43)38-12-18(13-38)27(28,29)30/h2-3,6,11,14,18,20-21H,4-5,7-10,12-13,15-17H2,1H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM324429 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-[3- (trifl...) Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1 Show InChI InChI=1S/C27H34F3N11O2/c1-35-7-9-36(10-8-35)23(42)17-39-14-19(11-31-39)32-25-33-24-22(3-2-6-40(24)34-25)37-15-20-4-5-21(16-37)41(20)26(43)38-12-18(13-38)27(28,29)30/h2-3,6,11,14,18,20-21H,4-5,7-10,12-13,15-17H2,1H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	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))	BDBM324429 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-[3- (trifl...) Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1 Show InChI InChI=1S/C27H34F3N11O2/c1-35-7-9-36(10-8-35)23(42)17-39-14-19(11-31-39)32-25-33-24-22(3-2-6-40(24)34-25)37-15-20-4-5-21(16-37)41(20)26(43)38-12-18(13-38)27(28,29)30/h2-3,6,11,14,18,20-21H,4-5,7-10,12-13,15-17H2,1H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	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