BDBM292122 US10100049, Example 1-6

SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCOC)C1

InChI Key: InChIKey=OWFLOTXSPAMOBL-UHFFFAOYSA-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 = 292122   

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))	BDBM292122 (US10100049, Example 1-6) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCOC)C1 Show InChI InChI=1S/C27H31FN6O2/c1-3-16-11-25(35)21(28)12-20(16)17-4-5-19-23(10-17)31-32-26(19)27-29-22-6-7-34(15-24(22)30-27)18-13-33(14-18)8-9-36-2/h4-5,10-12,18,35H,3,6-9,13-15H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	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 (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292122 (US10100049, Example 1-6) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCOC)C1 Show InChI InChI=1S/C27H31FN6O2/c1-3-16-11-25(35)21(28)12-20(16)17-4-5-19-23(10-17)31-32-26(19)27-29-22-6-7-34(15-24(22)30-27)18-13-33(14-18)8-9-36-2/h4-5,10-12,18,35H,3,6-9,13-15H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	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 (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM292122 (US10100049, Example 1-6) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCOC)C1 Show InChI InChI=1S/C27H31FN6O2/c1-3-16-11-25(35)21(28)12-20(16)17-4-5-19-23(10-17)31-32-26(19)27-29-22-6-7-34(15-24(22)30-27)18-13-33(14-18)8-9-36-2/h4-5,10-12,18,35H,3,6-9,13-15H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	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 (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM292122 (US10100049, Example 1-6) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCOC)C1 Show InChI InChI=1S/C27H31FN6O2/c1-3-16-11-25(35)21(28)12-20(16)17-4-5-19-23(10-17)31-32-26(19)27-29-22-6-7-34(15-24(22)30-27)18-13-33(14-18)8-9-36-2/h4-5,10-12,18,35H,3,6-9,13-15H2,1-2H3,(H,29,30)(H,31,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.660	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 (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair