BDBM387186 1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocyclopenta[c]pyrrol-5-yl)amino)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)propan-2-ol::US9938257, Example 38

SMILES: CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1

InChI Key: InChIKey=NMKNRNXEPYFWSY-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 387186   

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))	BDBM387186 (1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocy...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C18H26ClN7O3S/c1-11(27)7-25-10-15(5-21-25)23-18-20-6-16(19)17(24-18)22-14-3-12-8-26(30(2,28)29)9-13(12)4-14/h5-6,10-14,27H,3-4,7-9H2,1-2H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM387186 (1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocy...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C18H26ClN7O3S/c1-11(27)7-25-10-15(5-21-25)23-18-20-6-16(19)17(24-18)22-14-3-12-8-26(30(2,28)29)9-13(12)4-14/h5-6,10-14,27H,3-4,7-9H2,1-2H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-B:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM387186 (1-(4-((5-chloro-4-((2-(methyl sulfonyl)octahydrocy...) Show SMILES CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1 Show InChI InChI=1S/C18H26ClN7O3S/c1-11(27)7-25-10-15(5-21-25)23-18-20-6-16(19)17(24-18)22-14-3-12-8-26(30(2,28)29)9-13(12)4-14/h5-6,10-14,27H,3-4,7-9H2,1-2H3,(H2,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-A:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair