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BDBM6829 3-{2-[(2-hydroxyethyl)amino]ethyl}-6-methoxy-18-methyl-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. 11h

SMILES: COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

InChI Key: InChIKey=SZJYMJNAWBOTEU-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 = 6829   
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))
BDBM6829
PNG
(3-{2-[(2-hydroxyethyl)amino]ethyl}-6-methoxy-18-me...)
Show SMILES COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C26H24N4O4/c1-29-10-7-14-3-5-17-20(23(14)29)22-21(25(32)28-26(22)33)19-16-6-4-15(34-2)13-18(16)30(24(17)19)11-8-27-9-12-31/h3-7,10,13,27,31H,8-9,11-12H2,1-2H3,(H,28,32,33)
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Article
PubMed
n/an/a 35n/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))
BDBM6829
PNG
(3-{2-[(2-hydroxyethyl)amino]ethyl}-6-methoxy-18-me...)
Show SMILES COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C26H24N4O4/c1-29-10-7-14-3-5-17-20(23(14)29)22-21(25(32)28-26(22)33)19-16-6-4-15(34-2)13-18(16)30(24(17)19)11-8-27-9-12-31/h3-7,10,13,27,31H,8-9,11-12H2,1-2H3,(H,28,32,33)
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Article
PubMed
n/an/a 21n/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))
BDBM6829
PNG
(3-{2-[(2-hydroxyethyl)amino]ethyl}-6-methoxy-18-me...)
Show SMILES COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C26H24N4O4/c1-29-10-7-14-3-5-17-20(23(14)29)22-21(25(32)28-26(22)33)19-16-6-4-15(34-2)13-18(16)30(24(17)19)11-8-27-9-12-31/h3-7,10,13,27,31H,8-9,11-12H2,1-2H3,(H,28,32,33)
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PC sid
UniChem

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Article
PubMed
n/an/a 527n/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))
BDBM6829
PNG
(3-{2-[(2-hydroxyethyl)amino]ethyl}-6-methoxy-18-me...)
Show SMILES COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C26H24N4O4/c1-29-10-7-14-3-5-17-20(23(14)29)22-21(25(32)28-26(22)33)19-16-6-4-15(34-2)13-18(16)30(24(17)19)11-8-27-9-12-31/h3-7,10,13,27,31H,8-9,11-12H2,1-2H3,(H,28,32,33)
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Article
PubMed
n/an/a 3.74E+3n/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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM6829
PNG
(3-{2-[(2-hydroxyethyl)amino]ethyl}-6-methoxy-18-me...)
Show SMILES COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C26H24N4O4/c1-29-10-7-14-3-5-17-20(23(14)29)22-21(25(32)28-26(22)33)19-16-6-4-15(34-2)13-18(16)30(24(17)19)11-8-27-9-12-31/h3-7,10,13,27,31H,8-9,11-12H2,1-2H3,(H,28,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 89n/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