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BDBM6839 18-methyl-5-[2-(piperazin-1-yl)ethyl]-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. 13c

SMILES: Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4C(=O)NC(=O)c4c3c12

InChI Key: InChIKey=GGUSTVFLQLGLJX-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 = 6839   
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))
BDBM6839
PNG
(18-methyl-5-[2-(piperazin-1-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H25N5O2/c1-31-11-7-16-5-6-18-20(25(16)31)22-21(26(33)30-27(22)34)19-17-4-2-3-15(23(17)29-24(18)19)8-12-32-13-9-28-10-14-32/h2-7,11,28-29H,8-10,12-14H2,1H3,(H,30,33,34)
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Article
PubMed
n/an/a 49n/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))
BDBM6839
PNG
(18-methyl-5-[2-(piperazin-1-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H25N5O2/c1-31-11-7-16-5-6-18-20(25(16)31)22-21(26(33)30-27(22)34)19-17-4-2-3-15(23(17)29-24(18)19)8-12-32-13-9-28-10-14-32/h2-7,11,28-29H,8-10,12-14H2,1H3,(H,30,33,34)
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PC sid
UniChem

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Article
PubMed
n/an/a 15n/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))
BDBM6839
PNG
(18-methyl-5-[2-(piperazin-1-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H25N5O2/c1-31-11-7-16-5-6-18-20(25(16)31)22-21(26(33)30-27(22)34)19-17-4-2-3-15(23(17)29-24(18)19)8-12-32-13-9-28-10-14-32/h2-7,11,28-29H,8-10,12-14H2,1H3,(H,30,33,34)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 301n/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))
BDBM6839
PNG
(18-methyl-5-[2-(piperazin-1-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H25N5O2/c1-31-11-7-16-5-6-18-20(25(16)31)22-21(26(33)30-27(22)34)19-17-4-2-3-15(23(17)29-24(18)19)8-12-32-13-9-28-10-14-32/h2-7,11,28-29H,8-10,12-14H2,1H3,(H,30,33,34)
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Article
PubMed
n/an/a 1.29E+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))
BDBM6839
PNG
(18-methyl-5-[2-(piperazin-1-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H25N5O2/c1-31-11-7-16-5-6-18-20(25(16)31)22-21(26(33)30-27(22)34)19-17-4-2-3-15(23(17)29-24(18)19)8-12-32-13-9-28-10-14-32/h2-7,11,28-29H,8-10,12-14H2,1H3,(H,30,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.03E+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