BDBM350099 US10208040, Example 12-14

SMILES: CCN(CC)CCN(C)C(=O)[C@H]1Cc2nc([nH]c2CN1CC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC

InChI Key: InChIKey=HCACBCKDSMIUQE-HDHBGBBSSA-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 = 350099   

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))	BDBM350099 (US10208040, Example 12-14) Show SMILES CCN(CC)CCN(C)C(=O)[C@H]1Cc2nc([nH]c2CN1CC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H38FN7O2/c1-6-19-15-28(40)23(32)16-22(19)20-10-11-21-24(14-20)35-36-29(21)30-33-25-17-27(39(9-4)18-26(25)34-30)31(41)37(5)12-13-38(7-2)8-3/h10-11,14-16,27,40H,6-9,12-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	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 US10208040 (2019) BindingDB Entry DOI: 10.7270/Q20867FC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM350099 (US10208040, Example 12-14) Show SMILES CCN(CC)CCN(C)C(=O)[C@H]1Cc2nc([nH]c2CN1CC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C31H38FN7O2/c1-6-19-15-28(40)23(32)16-22(19)20-10-11-21-24(14-20)35-36-29(21)30-33-25-17-27(39(9-4)18-26(25)34-30)31(41)37(5)12-13-38(7-2)8-3/h10-11,14-16,27,40H,6-9,12-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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 US10208040 (2019) BindingDB Entry DOI: 10.7270/Q20867FC
					More data for this Ligand-Target Pair