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BDBM6849 18-methyl-5-[3-(morpholin-4-yl)propyl]-3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione::indolocarbazole deriv. 14j

SMILES: Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12

InChI Key: InChIKey=APPFRBZOALDJNI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 6849   
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6849
PNG
(18-methyl-5-[3-(morpholin-4-yl)propyl]-3,13,18-tri...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O3/c1-31-11-9-17-7-8-19-21(26(17)31)23-22(27(33)30-28(23)34)20-18-6-2-4-16(24(18)29-25(19)20)5-3-10-32-12-14-35-15-13-32/h2,4,6-9,11,29H,3,5,10,12-15H2,1H3,(H,30,33,34)
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Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6849
PNG
(18-methyl-5-[3-(morpholin-4-yl)propyl]-3,13,18-tri...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O3/c1-31-11-9-17-7-8-19-21(26(17)31)23-22(27(33)30-28(23)34)20-18-6-2-4-16(24(18)29-25(19)20)5-3-10-32-12-14-35-15-13-32/h2,4,6-9,11,29H,3,5,10,12-15H2,1H3,(H,30,33,34)
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UniChem

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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6849
PNG
(18-methyl-5-[3-(morpholin-4-yl)propyl]-3,13,18-tri...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O3/c1-31-11-9-17-7-8-19-21(26(17)31)23-22(27(33)30-28(23)34)20-18-6-2-4-16(24(18)29-25(19)20)5-3-10-32-12-14-35-15-13-32/h2,4,6-9,11,29H,3,5,10,12-15H2,1H3,(H,30,33,34)
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PC sid
UniChem

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Article
PubMed
n/an/a 516n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6849
PNG
(18-methyl-5-[3-(morpholin-4-yl)propyl]-3,13,18-tri...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O3/c1-31-11-9-17-7-8-19-21(26(17)31)23-22(27(33)30-28(23)34)20-18-6-2-4-16(24(18)29-25(19)20)5-3-10-32-12-14-35-15-13-32/h2,4,6-9,11,29H,3,5,10,12-15H2,1H3,(H,30,33,34)
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6849
PNG
(18-methyl-5-[3-(morpholin-4-yl)propyl]-3,13,18-tri...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O3/c1-31-11-9-17-7-8-19-21(26(17)31)23-22(27(33)30-28(23)34)20-18-6-2-4-16(24(18)29-25(19)20)5-3-10-32-12-14-35-15-13-32/h2,4,6-9,11,29H,3,5,10,12-15H2,1H3,(H,30,33,34)
PDB

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antibodypedia
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antibodypedia
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UniChem

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Article
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair