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BDBM6844 18-methyl-5-[2-(morpholin-4-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. 13j

SMILES: Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12

InChI Key: InChIKey=BDOCJJUGIOCUKN-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 = 6844   
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))
BDBM6844
PNG
(18-methyl-5-[2-(morpholin-4-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H24N4O3/c1-30-9-7-16-5-6-18-20(25(16)30)22-21(26(32)29-27(22)33)19-17-4-2-3-15(23(17)28-24(18)19)8-10-31-11-13-34-14-12-31/h2-7,9,28H,8,10-14H2,1H3,(H,29,32,33)
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Article
PubMed
n/an/a 54n/an/an/an/an/a25



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)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6844
PNG
(18-methyl-5-[2-(morpholin-4-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H24N4O3/c1-30-9-7-16-5-6-18-20(25(16)30)22-21(26(32)29-27(22)33)19-17-4-2-3-15(23(17)28-24(18)19)8-10-31-11-13-34-14-12-31/h2-7,9,28H,8,10-14H2,1H3,(H,29,32,33)
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UniChem

Patents

Article
PubMed
n/an/a 15n/an/an/an/an/a25



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)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6844
PNG
(18-methyl-5-[2-(morpholin-4-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H24N4O3/c1-30-9-7-16-5-6-18-20(25(16)30)22-21(26(32)29-27(22)33)19-17-4-2-3-15(23(17)28-24(18)19)8-10-31-11-13-34-14-12-31/h2-7,9,28H,8,10-14H2,1H3,(H,29,32,33)
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 177n/an/an/an/an/a25



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)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6844
PNG
(18-methyl-5-[2-(morpholin-4-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H24N4O3/c1-30-9-7-16-5-6-18-20(25(16)30)22-21(26(32)29-27(22)33)19-17-4-2-3-15(23(17)28-24(18)19)8-10-31-11-13-34-14-12-31/h2-7,9,28H,8,10-14H2,1H3,(H,29,32,33)
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UniChem

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PubMed
n/an/a>2.00E+4n/an/an/an/an/a25



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)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6844
PNG
(18-methyl-5-[2-(morpholin-4-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H24N4O3/c1-30-9-7-16-5-6-18-20(25(16)30)22-21(26(32)29-27(22)33)19-17-4-2-3-15(23(17)28-24(18)19)8-10-31-11-13-34-14-12-31/h2-7,9,28H,8,10-14H2,1H3,(H,29,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.28E+3n/an/an/an/an/a25



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)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair