BDBM50446985 CHEMBL3116063
SMILES: CC(Nc1nc(Nc2cn(C)cn2)c2ccc(Cl)nc2n1)c1ncc(F)cn1
InChI Key: InChIKey=KKRWFGBMTXVZCB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50446985 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)) | BDBM50446985
(CHEMBL3116063)Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2ccc(Cl)nc2n1)c1ncc(F)cn1 Show InChI InChI=1S/C17H15ClFN9/c1-9(14-20-5-10(19)6-21-14)23-17-26-15-11(3-4-12(18)24-15)16(27-17)25-13-7-28(2)8-22-13/h3-9H,1-2H3,(H2,23,24,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Jak3 (unknown origin) |
J Med Chem 57: 144-58 (2014)
Article DOI: 10.1021/jm401546n BindingDB Entry DOI: 10.7270/Q2CR5VTM |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50446985
(CHEMBL3116063)Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2ccc(Cl)nc2n1)c1ncc(F)cn1 Show InChI InChI=1S/C17H15ClFN9/c1-9(14-20-5-10(19)6-21-14)23-17-26-15-11(3-4-12(18)24-15)16(27-17)25-13-7-28(2)8-22-13/h3-9H,1-2H3,(H2,23,24,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Jak2 (unknown origin) |
J Med Chem 57: 144-58 (2014)
Article DOI: 10.1021/jm401546n BindingDB Entry DOI: 10.7270/Q2CR5VTM |
More data for this Ligand-Target Pair | |