BDBM50530801 CHEMBL4471599

SMILES: O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12

InChI Key: InChIKey=IZUPCXUREZVCCM-SJLPKXTDSA-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 = 50530801   

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))	BDBM50530801 (CHEMBL4471599) Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50530801 (CHEMBL4471599) Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK1 (866 to 1154 residues) expressed in baculovirus expression system using PolyGT-Biotin as substrate me...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50530801 (CHEMBL4471599) Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50530801 (CHEMBL4471599) Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50530801 (CHEMBL4471599) Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK1 (866 to 1154 residues) expressed in baculovirus expression system using PolyGT-Biotin as substrate me...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50530801 (CHEMBL4471599) Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair