BDBM50166930 CHEMBL3797848

SMILES: C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCCN1CCOCC1

InChI Key: InChIKey=MQIDSTYDNWIAEV-IBGZPJMESA-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 = 50166930   

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))	BDBM50166930 (CHEMBL3797848) Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCCN1CCOCC1 |r| Show InChI InChI=1S/C29H39N7O5/c1-19(33-28(39)41-29(2,3)4)26(37)34-21-9-7-20(8-10-21)24-22-17-23(35(5)25(22)32-18-31-24)27(38)30-11-6-12-36-13-15-40-16-14-36/h7-10,17-19H,6,11-16H2,1-5H3,(H,30,38)(H,33,39)(H,34,37)/t19-/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	17	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50166930 (CHEMBL3797848) Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCCN1CCOCC1 |r| Show InChI InChI=1S/C29H39N7O5/c1-19(33-28(39)41-29(2,3)4)26(37)34-21-9-7-20(8-10-21)24-22-17-23(35(5)25(22)32-18-31-24)27(38)30-11-6-12-36-13-15-40-16-14-36/h7-10,17-19H,6,11-16H2,1-5H3,(H,30,38)(H,33,39)(H,34,37)/t19-/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	9.30E+3	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