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BDBM50433249 CHEMBL2376147

SMILES: C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C)c2cc(F)ccc12)C(=O)N1CC(C1)C#N

InChI Key: InChIKey=AGTYRXOJPORGGM-LLVKDONJSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50433249
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 JAK3 (Homo sapiens (Human))	BDBM50433249 (CHEMBL2376147) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...				Bioorg Med Chem Lett 23: 2793-800 (2013) Article DOI: 10.1016/j.bmcl.2013.02.012 BindingDB Entry DOI: 10.7270/Q2QR4ZG3
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
JAK2/JAK1 (Homo sapiens (Human))	BDBM50433249 (CHEMBL2376147) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation				Bioorg Med Chem Lett 23: 2793-800 (2013) Article DOI: 10.1016/j.bmcl.2013.02.012 BindingDB Entry DOI: 10.7270/Q2QR4ZG3
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50433249 (CHEMBL2376147) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...				Bioorg Med Chem Lett 23: 2793-800 (2013) Article DOI: 10.1016/j.bmcl.2013.02.012 BindingDB Entry DOI: 10.7270/Q2QR4ZG3
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50433249 (CHEMBL2376147) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of IL2-stimulated STAT5a phosphorylation				Bioorg Med Chem Lett 23: 2793-800 (2013) Article DOI: 10.1016/j.bmcl.2013.02.012 BindingDB Entry DOI: 10.7270/Q2QR4ZG3
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50433249 (CHEMBL2376147) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...				Bioorg Med Chem Lett 23: 2793-800 (2013) Article DOI: 10.1016/j.bmcl.2013.02.012 BindingDB Entry DOI: 10.7270/Q2QR4ZG3
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50433249 (CHEMBL2376147) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of JAK2 in human monocytes expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation				Bioorg Med Chem Lett 23: 2793-800 (2013) Article DOI: 10.1016/j.bmcl.2013.02.012 BindingDB Entry DOI: 10.7270/Q2QR4ZG3
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair