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SMILES: COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50559279   

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))	BDBM50559279 (CHEMBL4754856) Show SMILES COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JAK2 V617F mutant in human SET-2 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01488 BindingDB Entry DOI: 10.7270/Q28P6472
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Mus musculus)	BDBM50559279 (CHEMBL4754856) Show SMILES COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01488 BindingDB Entry DOI: 10.7270/Q28P6472
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K633Q] (Homo sapiens (Human))	BDBM50559279 (CHEMBL4754856) Show SMILES COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	497	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FLT3 ITD mutant in human MOLM13 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01488 BindingDB Entry DOI: 10.7270/Q28P6472
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K633Q] (Homo sapiens (Human))	BDBM50559279 (CHEMBL4754856) Show SMILES COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human FLT3 D835Y mutant (564 to end residues) using EAIYAAPFAKKK as substrate at 40 mins in presence of [gamma-33ATP] by sc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01488 BindingDB Entry DOI: 10.7270/Q28P6472
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50559279 (CHEMBL4754856) Show SMILES COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK2 (808 to end residues) KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate measured after 40 mins in presence of...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01488 BindingDB Entry DOI: 10.7270/Q28P6472
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50559279 (CHEMBL4754856) Show SMILES COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human JAK3 (781 to end residues) using GGEEEEYFELVKKKK as substrate measured after 40 mins in presence of [gamm33P]ATP by s...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01488 BindingDB Entry DOI: 10.7270/Q28P6472
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50559279 (CHEMBL4754856) Show SMILES COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TYK2 (875 to end residues) using GGMEDIYFEFMGGKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01488 BindingDB Entry DOI: 10.7270/Q28P6472
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50559279 (CHEMBL4754856) Show SMILES COC(=O)\C=C\CN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human JAK1 (866 to end residues) using GEEPLYWSFPAKKK as substrate after 40 mins by [gamma-33ATP] radiometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01488 BindingDB Entry DOI: 10.7270/Q28P6472
					More data for this Ligand-Target Pair