BDBM50530807 CHEMBL4469844

SMILES: C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12

InChI Key: InChIKey=UYSIKZXARCXNKC-SECBINFHSA-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 = 50530807   

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))	BDBM50530807 (CHEMBL4469844) Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/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	3.5	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))	BDBM50530807 (CHEMBL4469844) Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/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	3.90	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 JAK2 (Homo sapiens (Human))	BDBM50530807 (CHEMBL4469844) Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/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	0.600	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))	BDBM50530807 (CHEMBL4469844) Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/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	3.5	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))	BDBM50530807 (CHEMBL4469844) Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/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	0.600	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))	BDBM50530807 (CHEMBL4469844) Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/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	3.90	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