BDBM50526456 CHEMBL4582632

SMILES: Nc1ncnc2n(nc(Br)c12)C1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=MACLJRDGXVTVHT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50526456   

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 JAK1 (Homo sapiens (Human))	BDBM50526456 (CHEMBL4582632) Show SMILES Nc1ncnc2n(nc(Br)c12)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C13H15BrN6O/c1-2-9(21)19-5-3-4-8(6-19)20-13-10(11(14)18-20)12(15)16-7-17-13/h2,7-8H,1,3-6H2,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	168	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))	BDBM50526456 (CHEMBL4582632) Show SMILES Nc1ncnc2n(nc(Br)c12)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C13H15BrN6O/c1-2-9(21)19-5-3-4-8(6-19)20-13-10(11(14)18-20)12(15)16-7-17-13/h2,7-8H,1,3-6H2,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	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
Tyrosine-protein kinase JAK2 (Rattus norvegicus)	BDBM50526456 (CHEMBL4582632) Show SMILES Nc1ncnc2n(nc(Br)c12)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C13H15BrN6O/c1-2-9(21)19-5-3-4-8(6-19)20-13-10(11(14)18-20)12(15)16-7-17-13/h2,7-8H,1,3-6H2,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of JAK2 in Lewis rat T cells assessed as reduction in IL-2-induced cell proliferation measured after 72 hrs by alamar blue staining based ...				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 (Rattus norvegicus)	BDBM50526456 (CHEMBL4582632) Show SMILES Nc1ncnc2n(nc(Br)c12)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C13H15BrN6O/c1-2-9(21)19-5-3-4-8(6-19)20-13-10(11(14)18-20)12(15)16-7-17-13/h2,7-8H,1,3-6H2,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of JAK2 in Lewis rat T cells assessed as reduction in ConA/CD3/CD28-induced cell proliferation measured after 72 hrs by alamar blue staini...				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 JAK3 (Homo sapiens (Human))	BDBM50526456 (CHEMBL4582632) Show SMILES Nc1ncnc2n(nc(Br)c12)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C13H15BrN6O/c1-2-9(21)19-5-3-4-8(6-19)20-13-10(11(14)18-20)12(15)16-7-17-13/h2,7-8H,1,3-6H2,(H2,15,16,17)	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	34	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