BDBM50433295 CHEMBL2376439

SMILES: CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@H](C5CC5)C(=O)N5CC(C5)C#N)c4n3)cc12

InChI Key: InChIKey=KGNIKVYPAXDZAZ-FYYLOGMGSA-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 = 50433295   

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
JAK2/JAK1 (Homo sapiens (Human))	BDBM50433295 (CHEMBL2376439) Show SMILES CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@H](C5CC5)C(=O)N5CC(C5)C#N)c4n3)cc12 |r| Show InChI InChI=1S/C27H27N7O4/c1-14(35)31-21-7-5-16-4-6-18(8-19(16)21)38-22-11-30-25-24(32-22)20(10-29-25)26(36)33-23(17-2-3-17)27(37)34-12-15(9-28)13-34/h4,6,8,10-11,15,17,21,23H,2-3,5,7,12-13H2,1H3,(H,29,30)(H,31,35)(H,33,36)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1/2 in human PBMC expressing CD14 assessed as inhibition of IFNgamma-induced STAT1 phosphorylation				Bioorg Med Chem Lett 23: 2522-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.015 BindingDB Entry DOI: 10.7270/Q2BK1DRS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50433295 (CHEMBL2376439) Show SMILES CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@H](C5CC5)C(=O)N5CC(C5)C#N)c4n3)cc12 |r| Show InChI InChI=1S/C27H27N7O4/c1-14(35)31-21-7-5-16-4-6-18(8-19(16)21)38-22-11-30-25-24(32-22)20(10-29-25)26(36)33-23(17-2-3-17)27(37)34-12-15(9-28)13-34/h4,6,8,10-11,15,17,21,23H,2-3,5,7,12-13H2,1H3,(H,29,30)(H,31,35)(H,33,36)/t21-,23-/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	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CSF-induced STAT5a phosphorylation				Bioorg Med Chem Lett 23: 2522-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.015 BindingDB Entry DOI: 10.7270/Q2BK1DRS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50433295 (CHEMBL2376439) Show SMILES CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@H](C5CC5)C(=O)N5CC(C5)C#N)c4n3)cc12 |r| Show InChI InChI=1S/C27H27N7O4/c1-14(35)31-21-7-5-16-4-6-18(8-19(16)21)38-22-11-30-25-24(32-22)20(10-29-25)26(36)33-23(17-2-3-17)27(37)34-12-15(9-28)13-34/h4,6,8,10-11,15,17,21,23H,2-3,5,7,12-13H2,1H3,(H,29,30)(H,31,35)(H,33,36)/t21-,23-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using Biotin-KAIETDKEYYTVKD as substrate and [33Pgamma]ATP incubated for 10 mins prior to substrate addition meas...				Bioorg Med Chem Lett 23: 2522-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.015 BindingDB Entry DOI: 10.7270/Q2BK1DRS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50433295 (CHEMBL2376439) Show SMILES CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@H](C5CC5)C(=O)N5CC(C5)C#N)c4n3)cc12 |r| Show InChI InChI=1S/C27H27N7O4/c1-14(35)31-21-7-5-16-4-6-18(8-19(16)21)38-22-11-30-25-24(32-22)20(10-29-25)26(36)33-23(17-2-3-17)27(37)34-12-15(9-28)13-34/h4,6,8,10-11,15,17,21,23H,2-3,5,7,12-13H2,1H3,(H,29,30)(H,31,35)(H,33,36)/t21-,23-/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	262	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) using Biotin-KAIETDKEYYTVKD as substrate and [33Pgamma]ATP incubated for 10 mins prior to substrate addition meas...				Bioorg Med Chem Lett 23: 2522-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.015 BindingDB Entry DOI: 10.7270/Q2BK1DRS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50433295 (CHEMBL2376439) Show SMILES CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@H](C5CC5)C(=O)N5CC(C5)C#N)c4n3)cc12 |r| Show InChI InChI=1S/C27H27N7O4/c1-14(35)31-21-7-5-16-4-6-18(8-19(16)21)38-22-11-30-25-24(32-22)20(10-29-25)26(36)33-23(17-2-3-17)27(37)34-12-15(9-28)13-34/h4,6,8,10-11,15,17,21,23H,2-3,5,7,12-13H2,1H3,(H,29,30)(H,31,35)(H,33,36)/t21-,23-/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	39	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) expressed in SF21 cells using Biotin-KAIETDKEYYTVKD as substrate and [33Pgamma]ATP incubated for 10 mins prior to...				Bioorg Med Chem Lett 23: 2522-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.015 BindingDB Entry DOI: 10.7270/Q2BK1DRS
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50433295 (CHEMBL2376439) Show SMILES CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@H](C5CC5)C(=O)N5CC(C5)C#N)c4n3)cc12 |r| Show InChI InChI=1S/C27H27N7O4/c1-14(35)31-21-7-5-16-4-6-18(8-19(16)21)38-22-11-30-25-24(32-22)20(10-29-25)26(36)33-23(17-2-3-17)27(37)34-12-15(9-28)13-34/h4,6,8,10-11,15,17,21,23H,2-3,5,7,12-13H2,1H3,(H,29,30)(H,31,35)(H,33,36)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1/3 in human PBMC expressing CD3 assessed as inhibition of IL2-induced STAT5a phosphorylation				Bioorg Med Chem Lett 23: 2522-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.015 BindingDB Entry DOI: 10.7270/Q2BK1DRS
					More data for this Ligand-Target Pair