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BDBM3049 23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3-methyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaene-12,14-dione::Go 7874::Indolocarbazole deriv.

SMILES: COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1

InChI Key: InChIKey=XIKQYZCJVULUHD-UHFFFAOYSA-N

Data: 4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 3049   
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
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3049
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-8-6-5-7-16(19)20-22-23(27(34)28-26(22)33)21-17-11-15(35-4)9-10-18(17)30(3)24(21)25(20)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
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PC cid
PC sid
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Article
n/an/a 120n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
cGMP-Dependent Protein Kinase


(Bos taurus (bovine))
BDBM3049
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-8-6-5-7-16(19)20-22-23(27(34)28-26(22)33)21-17-11-15(35-4)9-10-18(17)30(3)24(21)25(20)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
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Article
n/an/a 4.80E+3n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
The activity of cGPK, activated by cGMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM3049
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-8-6-5-7-16(19)20-22-23(27(34)28-26(22)33)21-17-11-15(35-4)9-10-18(17)30(3)24(21)25(20)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
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PC cid
PC sid
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Article
n/an/a 510n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein Kinase C


(Rattus norvegicus (rat))
BDBM3049
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-8-6-5-7-16(19)20-22-23(27(34)28-26(22)33)21-17-11-15(35-4)9-10-18(17)30(3)24(21)25(20)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
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Article
n/an/a 4n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair