BDBM50166917 CHEMBL3800205

SMILES: C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)OCc1ccccc1

InChI Key: InChIKey=ASWHWIOVGCDORU-SFHVURJKSA-N

Data: 2 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 2 hits for monomerid = 50166917   

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))	BDBM50166917 (CHEMBL3800205) Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H31N5O5/c1-18(32-28(37)39-29(2,3)4)26(35)33-21-13-11-20(12-14-21)24-22-15-23(34(5)25(22)31-17-30-24)27(36)38-16-19-9-7-6-8-10-19/h6-15,17-18H,16H2,1-5H3,(H,32,37)(H,33,35)/t18-/m0/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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of JAK2 in GMCSF-stimulated human TF1 cells assessed as suppression of STAT5 phosphorylation preincubated for 2 hrs followed by GMCSF stim...				Bioorg Med Chem Lett 26: 2936-2941 (2016) Article DOI: 10.1016/j.bmcl.2016.04.027 BindingDB Entry DOI: 10.7270/Q2GB25ZS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50166917 (CHEMBL3800205) Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H31N5O5/c1-18(32-28(37)39-29(2,3)4)26(35)33-21-13-11-20(12-14-21)24-22-15-23(34(5)25(22)31-17-30-24)27(36)38-16-19-9-7-6-8-10-19/h6-15,17-18H,16H2,1-5H3,(H,32,37)(H,33,35)/t18-/m0/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	475	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK2 expressed in baculovirus expression system using Z'-LYTE Try6 peptide as substrate incubated for 1 hr...				Bioorg Med Chem Lett 26: 2936-2941 (2016) Article DOI: 10.1016/j.bmcl.2016.04.027 BindingDB Entry DOI: 10.7270/Q2GB25ZS
					More data for this Ligand-Target Pair