BDBM279848 US10028960, Example 3-3::US10485803, Example 3-3

SMILES: COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1

InChI Key:

Data: 6 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 6 hits for monomerid = 279848   

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))	BDBM279848 (US10028960, Example 3-3 | US10485803, Example 3-3) Show SMILES COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:2:4:8.7.6:11.10.12| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10485803 (2019) BindingDB Entry DOI: 10.7270/Q2XP779G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM279848 (US10028960, Example 3-3 | US10485803, Example 3-3) Show SMILES COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:2:4:8.7.6:11.10.12| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.550	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10028960 (2018) BindingDB Entry DOI: 10.7270/Q23N25D9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM279848 (US10028960, Example 3-3 | US10485803, Example 3-3) Show SMILES COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:2:4:8.7.6:11.10.12| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.550	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10028960 (2018) BindingDB Entry DOI: 10.7270/Q23N25D9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM279848 (US10028960, Example 3-3 | US10485803, Example 3-3) Show SMILES COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:2:4:8.7.6:11.10.12| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10485803 (2019) BindingDB Entry DOI: 10.7270/Q2XP779G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM279848 (US10028960, Example 3-3 | US10485803, Example 3-3) Show SMILES COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:2:4:8.7.6:11.10.12| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10485803 (2019) BindingDB Entry DOI: 10.7270/Q2XP779G
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM279848 (US10028960, Example 3-3 | US10485803, Example 3-3) Show SMILES COC(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1 |r,TLB:2:4:8.7.6:11.10.12| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10028960 (2018) BindingDB Entry DOI: 10.7270/Q23N25D9
					More data for this Ligand-Target Pair