BindingDB PrimarySearch

BDBM412682 US10399979, Compound 17f

SMILES: COc1cc2c3cnc4[nH]ccc4c3n(C3CCNCC3)c(=O)c2cc1OC

InChI Key: InChIKey=USKNKBXRDISSHA-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 412682
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412682 (US10399979, Compound 17f) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
Purdue Research Foundation US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412682 (US10399979, Compound 17f) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	14.7	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
Purdue Research Foundation US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412682 (US10399979, Compound 17f) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	18.3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
Purdue Research Foundation US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412682 (US10399979, Compound 17f) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412682 (US10399979, Compound 17f) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412682 (US10399979, Compound 17f) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412682 (US10399979, Compound 17f) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412682 (US10399979, Compound 17f) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Research Foundation US Patent					Assay Description Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...				US Patent US10399979 (2019) BindingDB Entry DOI: 10.7270/Q29G5Q52
Purdue Research Foundation US Patent					More data for this Ligand-Target Pair