BDBM324539 1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- methylsulfanylphenyl)- sulfonyl-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 107

SMILES: CSc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12

InChI Key: InChIKey=TZIFCMLQJRVZLU-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 = 324539   

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))	BDBM324539 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- methyl...) Show SMILES CSc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12 Show InChI InChI=1S/C29H36N10O3S2/c1-34-12-14-35(15-13-34)27(40)20-37-17-21(16-30-37)31-29-32-28-26(4-3-11-38(28)33-29)36-18-22-5-6-23(19-36)39(22)44(41,42)25-9-7-24(43-2)8-10-25/h3-4,7-11,16-17,22-23H,5-6,12-15,18-20H2,1-2H3,(H,31,33)	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))	BDBM324539 (1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- methyl...) Show SMILES CSc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12 Show InChI InChI=1S/C29H36N10O3S2/c1-34-12-14-35(15-13-34)27(40)20-37-17-21(16-30-37)31-29-32-28-26(4-3-11-38(28)33-29)36-18-22-5-6-23(19-36)39(22)44(41,42)25-9-7-24(43-2)8-10-25/h3-4,7-11,16-17,22-23H,5-6,12-15,18-20H2,1-2H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	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