BDBM50121382 CHEMBL3622131

SMILES CCn1c(cc2c1nc(NCCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1

InChI Key InChIKey=LGLQLJMRIVMMGZ-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50121382   

TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50121382(CHEMBL3622131)
Show SMILES CCn1c(cc2c1nc(NCCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H30N6O2/c1-4-27-17(22(29)28(14-6-7-14)15-8-9-15)12-16-19-18(24-13-26(19)2)20(25-21(16)27)23-10-5-11-30-3/h12-15H,4-11H2,1-3H3,(H,23,25)
Affinity DataIC50: 40nMAssay Description:Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50121382(CHEMBL3622131)
Show SMILES CCn1c(cc2c1nc(NCCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H30N6O2/c1-4-27-17(22(29)28(14-6-7-14)15-8-9-15)12-16-19-18(24-13-26(19)2)20(25-21(16)27)23-10-5-11-30-3/h12-15H,4-11H2,1-3H3,(H,23,25)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of recombinant JAK3 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50121382(CHEMBL3622131)
Show SMILES CCn1c(cc2c1nc(NCCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H30N6O2/c1-4-27-17(22(29)28(14-6-7-14)15-8-9-15)12-16-19-18(24-13-26(19)2)20(25-21(16)27)23-10-5-11-30-3/h12-15H,4-11H2,1-3H3,(H,23,25)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of JAK2 in human SET2 cells assessed as inhibition of cell proliferation after 72 hrs by [3H]-thymidine incorporation assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50121382(CHEMBL3622131)
Show SMILES CCn1c(cc2c1nc(NCCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H30N6O2/c1-4-27-17(22(29)28(14-6-7-14)15-8-9-15)12-16-19-18(24-13-26(19)2)20(25-21(16)27)23-10-5-11-30-3/h12-15H,4-11H2,1-3H3,(H,23,25)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of recombinant JAK1 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50121382(CHEMBL3622131)
Show SMILES CCn1c(cc2c1nc(NCCCOC)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H30N6O2/c1-4-27-17(22(29)28(14-6-7-14)15-8-9-15)12-16-19-18(24-13-26(19)2)20(25-21(16)27)23-10-5-11-30-3/h12-15H,4-11H2,1-3H3,(H,23,25)
Affinity DataIC50: 690nMAssay Description:Inhibition of recombinant Tyk2 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair