BDBM270875 US10059709, 21

SMILES: CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1-c1ccccc1

InChI Key: InChIKey=TWVMFQJHNOMQHA-KOMQPUFPSA-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 = 270875   

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))	BDBM270875 (US10059709, 21) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1-c1ccccc1 |r,wU:9.12,wD:6.5,(7.34,2.8,;6,2.03,;4.67,2.8,;5.44,4.13,;3.9,1.46,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-3.33,1.26,;-2,-1.05,;-.67,-1.82,;-.67,-3.36,;.67,-4.13,;-2,-4.13,;-3.33,-3.36,;-3.33,-1.82,;-4.67,-1.05,;-4.67,.49,;-6,1.26,;-7.34,.49,;-7.34,-1.05,;-6,-1.82,)| Show InChI InChI=1S/C19H27N5O2S/c1-21-27(25,26)13-14-8-10-16(11-9-14)24(2)18-17(12-22-19(20)23-18)15-6-4-3-5-7-15/h3-7,12,14,16,21H,8-11,13H2,1-2H3,(H2,20,22,23)/t14-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM270875 (US10059709, 21) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1-c1ccccc1 |r,wU:9.12,wD:6.5,(7.34,2.8,;6,2.03,;4.67,2.8,;5.44,4.13,;3.9,1.46,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-3.33,1.26,;-2,-1.05,;-.67,-1.82,;-.67,-3.36,;.67,-4.13,;-2,-4.13,;-3.33,-3.36,;-3.33,-1.82,;-4.67,-1.05,;-4.67,.49,;-6,1.26,;-7.34,.49,;-7.34,-1.05,;-6,-1.82,)| Show InChI InChI=1S/C19H27N5O2S/c1-21-27(25,26)13-14-8-10-16(11-9-14)24(2)18-17(12-22-19(20)23-18)15-6-4-3-5-7-15/h3-7,12,14,16,21H,8-11,13H2,1-2H3,(H2,20,22,23)/t14-,16-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM270875 (US10059709, 21) Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1-c1ccccc1 |r,wU:9.12,wD:6.5,(7.34,2.8,;6,2.03,;4.67,2.8,;5.44,4.13,;3.9,1.46,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-3.33,1.26,;-2,-1.05,;-.67,-1.82,;-.67,-3.36,;.67,-4.13,;-2,-4.13,;-3.33,-3.36,;-3.33,-1.82,;-4.67,-1.05,;-4.67,.49,;-6,1.26,;-7.34,.49,;-7.34,-1.05,;-6,-1.82,)| Show InChI InChI=1S/C19H27N5O2S/c1-21-27(25,26)13-14-8-10-16(11-9-14)24(2)18-17(12-22-19(20)23-18)15-6-4-3-5-7-15/h3-7,12,14,16,21H,8-11,13H2,1-2H3,(H2,20,22,23)/t14-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10059709 (2018) BindingDB Entry DOI: 10.7270/Q25X2BZX
					More data for this Ligand-Target Pair