BDBM50526470 CHEMBL4457338

SMILES: Cn1nc(cc1C(C)(C)O)-c1nn(CC2CCN(CC2)C(=O)C=C)c2ncnc(N)c12

InChI Key: InChIKey=AJSSACKEQPAZLE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50526470   

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))	BDBM50526470 (CHEMBL4457338) Show SMILES Cn1nc(cc1C(C)(C)O)-c1nn(CC2CCN(CC2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C21H28N8O2/c1-5-16(30)28-8-6-13(7-9-28)11-29-20-17(19(22)23-12-24-20)18(26-29)14-10-15(21(2,3)31)27(4)25-14/h5,10,12-13,31H,1,6-9,11H2,2-4H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	364	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 JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using TK-biotin as...				Bioorg Med Chem 27: 1562-1576 (2019) Article DOI: 10.1016/j.bmc.2019.02.054
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50526470 (CHEMBL4457338) Show SMILES Cn1nc(cc1C(C)(C)O)-c1nn(CC2CCN(CC2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C21H28N8O2/c1-5-16(30)28-8-6-13(7-9-28)11-29-20-17(19(22)23-12-24-20)18(26-29)14-10-15(21(2,3)31)27(4)25-14/h5,10,12-13,31H,1,6-9,11H2,2-4H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	469	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 JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using TK-biotin as...				Bioorg Med Chem 27: 1562-1576 (2019) Article DOI: 10.1016/j.bmc.2019.02.054
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50526470 (CHEMBL4457338) Show SMILES Cn1nc(cc1C(C)(C)O)-c1nn(CC2CCN(CC2)C(=O)C=C)c2ncnc(N)c12 Show InChI InChI=1S/C21H28N8O2/c1-5-16(30)28-8-6-13(7-9-28)11-29-20-17(19(22)23-12-24-20)18(26-29)14-10-15(21(2,3)31)27(4)25-14/h5,10,12-13,31H,1,6-9,11H2,2-4H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using TK-biotin ...				Bioorg Med Chem 27: 1562-1576 (2019) Article DOI: 10.1016/j.bmc.2019.02.054
					More data for this Ligand-Target Pair