BDBM324527 1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-(thietane-3- carbonyl)-3,9- diazabicyclo[3.3.1]nonan- 3-yl]-[1,2,4]triazolo[1,5-a] pyridin-2- yl]amino]pyrazol-1- yl]ethanone::US10189836, Example 96

SMILES: CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)C2CSC2)cn1

InChI Key: InChIKey=XOAPNWGMXNSNKM-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 = 324527   

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 JAK1 (Homo sapiens (Human))	BDBM324527 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-(thietane-...) Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)C2CSC2)cn1 Show InChI InChI=1S/C27H36N10O2S/c1-32-8-10-33(11-9-32)24(38)16-35-13-20(12-28-35)29-27-30-25-23(6-3-7-36(25)31-27)34-14-21-4-2-5-22(15-34)37(21)26(39)19-17-40-18-19/h3,6-7,12-13,19,21-22H,2,4-5,8-11,14-18H2,1H3,(H,29,31)	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 JAK2 (Homo sapiens (Human))	BDBM324527 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-(thietane-...) Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)C2CSC2)cn1 Show InChI InChI=1S/C27H36N10O2S/c1-32-8-10-33(11-9-32)24(38)16-35-13-20(12-28-35)29-27-30-25-23(6-3-7-36(25)31-27)34-14-21-4-2-5-22(15-34)37(21)26(39)19-17-40-18-19/h3,6-7,12-13,19,21-22H,2,4-5,8-11,14-18H2,1H3,(H,29,31)	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