BDBM350098 US10208040, Example 9-21

SMILES: CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC

InChI Key: InChIKey=KEBBGWSEAIJHMH-CWYQJUMESA-N

Data: 4 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 4 hits for monomerid = 350098   

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))	BDBM350098 (US10208040, Example 9-21) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H39FN6O/c1-5-10-39-18-29-28(14-23(39)17-38-11-9-22(16-38)19(3)4)34-32(35-29)31-24-8-7-21(12-27(24)36-37-31)25-15-26(33)30(40)13-20(25)6-2/h7-8,12-13,15,19,22-23,40H,5-6,9-11,14,16-18H2,1-4H3/b32-31-/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	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 JAK1 (Homo sapiens (Human))	BDBM350098 (US10208040, Example 9-21) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H39FN6O/c1-5-10-39-18-29-28(14-23(39)17-38-11-9-22(16-38)19(3)4)34-32(35-29)31-24-8-7-21(12-27(24)36-37-31)25-15-26(33)30(40)13-20(25)6-2/h7-8,12-13,15,19,22-23,40H,5-6,9-11,14,16-18H2,1-4H3/b32-31-/t22-,23-/m0/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))	BDBM350098 (US10208040, Example 9-21) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H39FN6O/c1-5-10-39-18-29-28(14-23(39)17-38-11-9-22(16-38)19(3)4)34-32(35-29)31-24-8-7-21(12-27(24)36-37-31)25-15-26(33)30(40)13-20(25)6-2/h7-8,12-13,15,19,22-23,40H,5-6,9-11,14,16-18H2,1-4H3/b32-31-/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM350098 (US10208040, Example 9-21) Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H39FN6O/c1-5-10-39-18-29-28(14-23(39)17-38-11-9-22(16-38)19(3)4)34-32(35-29)31-24-8-7-21(12-27(24)36-37-31)25-15-26(33)30(40)13-20(25)6-2/h7-8,12-13,15,19,22-23,40H,5-6,9-11,14,16-18H2,1-4H3/b32-31-/t22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	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