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BDBM6847 18-methyl-5-[3-(4-methylpiperazin-1-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. 14g

SMILES: CN1CCN(CCCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1

InChI Key: InChIKey=ATHMTZOFUCSRPV-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 = 6847   
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))
BDBM6847
PNG
(18-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-3,1...)
Show SMILES CN1CCN(CCCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
Show InChI InChI=1S/C29H29N5O2/c1-32-13-15-34(16-14-32)11-4-6-17-5-3-7-19-21-23-24(29(36)31-28(23)35)22-20(26(21)30-25(17)19)9-8-18-10-12-33(2)27(18)22/h3,5,7-10,12,30H,4,6,11,13-16H2,1-2H3,(H,31,35,36)
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Article
PubMed
n/an/a 52n/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))
BDBM6847
PNG
(18-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-3,1...)
Show SMILES CN1CCN(CCCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
Show InChI InChI=1S/C29H29N5O2/c1-32-13-15-34(16-14-32)11-4-6-17-5-3-7-19-21-23-24(29(36)31-28(23)35)22-20(26(21)30-25(17)19)9-8-18-10-12-33(2)27(18)22/h3,5,7-10,12,30H,4,6,11,13-16H2,1-2H3,(H,31,35,36)
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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
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6847
PNG
(18-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-3,1...)
Show SMILES CN1CCN(CCCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
Show InChI InChI=1S/C29H29N5O2/c1-32-13-15-34(16-14-32)11-4-6-17-5-3-7-19-21-23-24(29(36)31-28(23)35)22-20(26(21)30-25(17)19)9-8-18-10-12-33(2)27(18)22/h3,5,7-10,12,30H,4,6,11,13-16H2,1-2H3,(H,31,35,36)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 382n/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))
BDBM6847
PNG
(18-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-3,1...)
Show SMILES CN1CCN(CCCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
Show InChI InChI=1S/C29H29N5O2/c1-32-13-15-34(16-14-32)11-4-6-17-5-3-7-19-21-23-24(29(36)31-28(23)35)22-20(26(21)30-25(17)19)9-8-18-10-12-33(2)27(18)22/h3,5,7-10,12,30H,4,6,11,13-16H2,1-2H3,(H,31,35,36)
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UniChem

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Article
PubMed
n/an/a 1.66E+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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM6847
PNG
(18-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-3,1...)
Show SMILES CN1CCN(CCCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
Show InChI InChI=1S/C29H29N5O2/c1-32-13-15-34(16-14-32)11-4-6-17-5-3-7-19-21-23-24(29(36)31-28(23)35)22-20(26(21)30-25(17)19)9-8-18-10-12-33(2)27(18)22/h3,5,7-10,12,30H,4,6,11,13-16H2,1-2H3,(H,31,35,36)
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UniChem

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Article
PubMed
n/an/a 1.67E+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