BDBM50433254 CHEMBL2376040

SMILES: COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1

InChI Key: InChIKey=MLABEZYXQDQKQV-GFCCVEGCSA-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 = 50433254   

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))	BDBM50433254 (CHEMBL2376040) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r| Show InChI InChI=1S/C23H24N6O5/c1-12(23(31)29-10-13(7-24)11-29)27-22(30)15-8-25-21-19(15)28-16(9-26-21)14-5-17(32-2)20(34-4)18(6-14)33-3/h5-6,8-9,12-13H,10-11H2,1-4H3,(H,25,26)(H,27,30)/t12-/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	0.800	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
JAK2/JAK1 (Homo sapiens (Human))	BDBM50433254 (CHEMBL2376040) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r| Show InChI InChI=1S/C23H24N6O5/c1-12(23(31)29-10-13(7-24)11-29)27-22(30)15-8-25-21-19(15)28-16(9-26-21)14-5-17(32-2)20(34-4)18(6-14)33-3/h5-6,8-9,12-13H,10-11H2,1-4H3,(H,25,26)(H,27,30)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	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 JAK3 (Homo sapiens (Human))	BDBM50433254 (CHEMBL2376040) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r| Show InChI InChI=1S/C23H24N6O5/c1-12(23(31)29-10-13(7-24)11-29)27-22(30)15-8-25-21-19(15)28-16(9-26-21)14-5-17(32-2)20(34-4)18(6-14)33-3/h5-6,8-9,12-13H,10-11H2,1-4H3,(H,25,26)(H,27,30)/t12-/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	0.400	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
JAK3/JAK1 (Homo sapiens (Human))	BDBM50433254 (CHEMBL2376040) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r| Show InChI InChI=1S/C23H24N6O5/c1-12(23(31)29-10-13(7-24)11-29)27-22(30)15-8-25-21-19(15)28-16(9-26-21)14-5-17(32-2)20(34-4)18(6-14)33-3/h5-6,8-9,12-13H,10-11H2,1-4H3,(H,25,26)(H,27,30)/t12-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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))	BDBM50433254 (CHEMBL2376040) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r| Show InChI InChI=1S/C23H24N6O5/c1-12(23(31)29-10-13(7-24)11-29)27-22(30)15-8-25-21-19(15)28-16(9-26-21)14-5-17(32-2)20(34-4)18(6-14)33-3/h5-6,8-9,12-13H,10-11H2,1-4H3,(H,25,26)(H,27,30)/t12-/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	7.40	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))	BDBM50433254 (CHEMBL2376040) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(C(=O)N[C@H](C)C(=O)N3CC(C3)C#N)c2n1 |r| Show InChI InChI=1S/C23H24N6O5/c1-12(23(31)29-10-13(7-24)11-29)27-22(30)15-8-25-21-19(15)28-16(9-26-21)14-5-17(32-2)20(34-4)18(6-14)33-3/h5-6,8-9,12-13H,10-11H2,1-4H3,(H,25,26)(H,27,30)/t12-/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	200	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