BDBM50530780 CHEMBL4450301

SMILES: C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12

InChI Key: InChIKey=JFZIAPFELLCWLF-GFCCVEGCSA-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 = 50530780   

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))	BDBM50530780 (CHEMBL4450301) Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/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	54	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))	BDBM50530780 (CHEMBL4450301) Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/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	0.700	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))	BDBM50530780 (CHEMBL4450301) Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/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	2.70	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 JAK3 (Homo sapiens (Human))	BDBM50530780 (CHEMBL4450301) Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/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	2.70	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))	BDBM50530780 (CHEMBL4450301) Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/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	0.700	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))	BDBM50530780 (CHEMBL4450301) Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r| Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/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	54	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