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BDBM50294542 1-Methoxy-3-methyl-10-(4-methyl-piperazin-1-yl)-5-phenethyl-5,6,7,12-tetrahydro-2,5,12-triaza-dibenzo[a,e]azulene::CHEMBL551570

SMILES: COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12

InChI Key: InChIKey=AAWMAJBBHSVQCG-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50294542   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Insulin receptor


(Homo sapiens (Human))
BDBM50294542
PNG
(1-Methoxy-3-methyl-10-(4-methyl-piperazin-1-yl)-5-...)
Show SMILES COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12
Show InChI InChI=1S/C30H35N5O/c1-21-19-27-28(30(31-21)36-3)29-25(12-14-35(27)13-11-22-7-5-4-6-8-22)24-10-9-23(20-26(24)32-29)34-17-15-33(2)16-18-34/h4-10,19-20,32H,11-18H2,1-3H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRK


Bioorg Med Chem 17: 3308-16 (2009)


Article DOI: 10.1016/j.bmc.2009.03.046
BindingDB Entry DOI: 10.7270/Q2GX4BKJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50294542
PNG
(1-Methoxy-3-methyl-10-(4-methyl-piperazin-1-yl)-5-...)
Show SMILES COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12
Show InChI InChI=1S/C30H35N5O/c1-21-19-27-28(30(31-21)36-3)29-25(12-14-35(27)13-11-22-7-5-4-6-8-22)24-10-9-23(20-26(24)32-29)34-17-15-33(2)16-18-34/h4-10,19-20,32H,11-18H2,1-3H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 6xHis-tagged human NPM-ALK expressed in insect cells


Bioorg Med Chem 17: 3308-16 (2009)


Article DOI: 10.1016/j.bmc.2009.03.046
BindingDB Entry DOI: 10.7270/Q2GX4BKJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50294542
PNG
(1-Methoxy-3-methyl-10-(4-methyl-piperazin-1-yl)-5-...)
Show SMILES COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12
Show InChI InChI=1S/C30H35N5O/c1-21-19-27-28(30(31-21)36-3)29-25(12-14-35(27)13-11-22-7-5-4-6-8-22)24-10-9-23(20-26(24)32-29)34-17-15-33(2)16-18-34/h4-10,19-20,32H,11-18H2,1-3H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET


Bioorg Med Chem 17: 3308-16 (2009)


Article DOI: 10.1016/j.bmc.2009.03.046
BindingDB Entry DOI: 10.7270/Q2GX4BKJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50294542
PNG
(1-Methoxy-3-methyl-10-(4-methyl-piperazin-1-yl)-5-...)
Show SMILES COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12
Show InChI InChI=1S/C30H35N5O/c1-21-19-27-28(30(31-21)36-3)29-25(12-14-35(27)13-11-22-7-5-4-6-8-22)24-10-9-23(20-26(24)32-29)34-17-15-33(2)16-18-34/h4-10,19-20,32H,11-18H2,1-3H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2


Bioorg Med Chem 17: 3308-16 (2009)


Article DOI: 10.1016/j.bmc.2009.03.046
BindingDB Entry DOI: 10.7270/Q2GX4BKJ
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50294542
PNG
(1-Methoxy-3-methyl-10-(4-methyl-piperazin-1-yl)-5-...)
Show SMILES COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12
Show InChI InChI=1S/C30H35N5O/c1-21-19-27-28(30(31-21)36-3)29-25(12-14-35(27)13-11-22-7-5-4-6-8-22)24-10-9-23(20-26(24)32-29)34-17-15-33(2)16-18-34/h4-10,19-20,32H,11-18H2,1-3H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant IGFR1


Bioorg Med Chem 17: 3308-16 (2009)


Article DOI: 10.1016/j.bmc.2009.03.046
BindingDB Entry DOI: 10.7270/Q2GX4BKJ
More data for this
Ligand-Target Pair