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BDBM6861 5-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione::Indolocarbazole deriv. 4(e)

SMILES: Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21

InChI Key: InChIKey=KYWAFRQKAIEBNH-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 = 6861   
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))
BDBM6861
PNG
(5-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-10-6-3-5-9-13-15-14(19(25)24-20(15)26)12-8-4-1-2-7-11(8)22-17(12)18(13)23-16(9)10/h1-7,22-23H,(H,24,25,26)
PDB
MMDB

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Article
PubMed
n/an/a 1.62E+4n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6861
PNG
(5-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-10-6-3-5-9-13-15-14(19(25)24-20(15)26)12-8-4-1-2-7-11(8)22-17(12)18(13)23-16(9)10/h1-7,22-23H,(H,24,25,26)
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Article
PubMed
n/an/a 1.94E+4n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)

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


(Bos taurus (bovine))
BDBM6861
PNG
(5-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-10-6-3-5-9-13-15-14(19(25)24-20(15)26)12-8-4-1-2-7-11(8)22-17(12)18(13)23-16(9)10/h1-7,22-23H,(H,24,25,26)
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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...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6861
PNG
(5-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-10-6-3-5-9-13-15-14(19(25)24-20(15)26)12-8-4-1-2-7-11(8)22-17(12)18(13)23-16(9)10/h1-7,22-23H,(H,24,25,26)
PDB
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Reactome pathway
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antibodypedia
antibodypedia
antibodypedia
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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...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6861
PNG
(5-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-10-6-3-5-9-13-15-14(19(25)24-20(15)26)12-8-4-1-2-7-11(8)22-17(12)18(13)23-16(9)10/h1-7,22-23H,(H,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.11E+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...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair