BDBM50433239 CHEMBL2376158

SMILES: C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)cc(F)c12)C(=O)N1CC(C1)C#N

InChI Key: InChIKey=XVOQZCVSDBIDJD-SNVBAGLBSA-N

Data: 6 IC50

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 6 hits for monomerid = 50433239   

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 JAK3 (Homo sapiens (Human))	BDBM50433239 (CHEMBL2376158) Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)cc(F)c12)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C21H16F2N8O2/c1-10(21(33)30-6-11(3-24)7-30)28-20(32)13-4-25-19-16(13)29-15(5-26-19)17-18-14(23)2-12(22)8-31(18)9-27-17/h2,4-5,8-11H,6-7H2,1H3,(H,25,26)(H,28,32)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
					More data for this Ligand-Target Pair
JAK2/JAK1 (Homo sapiens (Human))	BDBM50433239 (CHEMBL2376158) Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)cc(F)c12)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C21H16F2N8O2/c1-10(21(33)30-6-11(3-24)7-30)28-20(32)13-4-25-19-16(13)29-15(5-26-19)17-18-14(23)2-12(22)8-31(18)9-27-17/h2,4-5,8-11H,6-7H2,1H3,(H,25,26)(H,28,32)/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50433239 (CHEMBL2376158) Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)cc(F)c12)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C21H16F2N8O2/c1-10(21(33)30-6-11(3-24)7-30)28-20(32)13-4-25-19-16(13)29-15(5-26-19)17-18-14(23)2-12(22)8-31(18)9-27-17/h2,4-5,8-11H,6-7H2,1H3,(H,25,26)(H,28,32)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50433239 (CHEMBL2376158) Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)cc(F)c12)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C21H16F2N8O2/c1-10(21(33)30-6-11(3-24)7-30)28-20(32)13-4-25-19-16(13)29-15(5-26-19)17-18-14(23)2-12(22)8-31(18)9-27-17/h2,4-5,8-11H,6-7H2,1H3,(H,25,26)(H,28,32)/t10-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50433239 (CHEMBL2376158) Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)cc(F)c12)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C21H16F2N8O2/c1-10(21(33)30-6-11(3-24)7-30)28-20(32)13-4-25-19-16(13)29-15(5-26-19)17-18-14(23)2-12(22)8-31(18)9-27-17/h2,4-5,8-11H,6-7H2,1H3,(H,25,26)(H,28,32)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50433239 (CHEMBL2376158) Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2cc(F)cc(F)c12)C(=O)N1CC(C1)C#N |r| Show InChI InChI=1S/C21H16F2N8O2/c1-10(21(33)30-6-11(3-24)7-30)28-20(32)13-4-25-19-16(13)29-15(5-26-19)17-18-14(23)2-12(22)8-31(18)9-27-17/h2,4-5,8-11H,6-7H2,1H3,(H,25,26)(H,28,32)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	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
					More data for this Ligand-Target Pair