BDBM324623 1-[4-(2- methylsulfanylethyl)piperazin- 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; formic acid::US10189836, Example 186

SMILES: CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1

InChI Key: InChIKey=QLZHYINEOIHHAY-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 = 324623   

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))	BDBM324623 (1-[4-(2- methylsulfanylethyl)piperazin- 1-yl]-2-[4...) Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1 Show InChI InChI=1S/C29H38F3N11O2S/c1-46-12-11-37-7-9-38(10-8-37)25(44)19-41-16-21(13-33-41)34-27-35-26-24(3-2-6-42(26)36-27)39-17-22-4-5-23(18-39)43(22)28(45)40-14-20(15-40)29(30,31)32/h2-3,6,13,16,20,22-23H,4-5,7-12,14-15,17-19H2,1H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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))	BDBM324623 (1-[4-(2- methylsulfanylethyl)piperazin- 1-yl]-2-[4...) Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1 Show InChI InChI=1S/C29H38F3N11O2S/c1-46-12-11-37-7-9-38(10-8-37)25(44)19-41-16-21(13-33-41)34-27-35-26-24(3-2-6-42(26)36-27)39-17-22-4-5-23(18-39)43(22)28(45)40-14-20(15-40)29(30,31)32/h2-3,6,13,16,20,22-23H,4-5,7-12,14-15,17-19H2,1H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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