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BDBM6835 6-methoxy-18-methyl-3-[3-(morpholin-4-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. 12j

SMILES: COc1ccc2c(c1)n(CCCN1CCOCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

InChI Key: InChIKey=FVTCOCMWUORHEE-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 = 6835   
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))
BDBM6835
PNG
(6-methoxy-18-methyl-3-[3-(morpholin-4-yl)propyl]-3...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCOCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-8-17-4-6-20-23(26(17)31)25-24(28(34)30-29(25)35)22-19-7-5-18(36-2)16-21(19)33(27(20)22)10-3-9-32-12-14-37-15-13-32/h4-8,11,16H,3,9-10,12-15H2,1-2H3,(H,30,34,35)
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 69n/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))
BDBM6835
PNG
(6-methoxy-18-methyl-3-[3-(morpholin-4-yl)propyl]-3...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCOCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-8-17-4-6-20-23(26(17)31)25-24(28(34)30-29(25)35)22-19-7-5-18(36-2)16-21(19)33(27(20)22)10-3-9-32-12-14-37-15-13-32/h4-8,11,16H,3,9-10,12-15H2,1-2H3,(H,30,34,35)
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KEGG

UniProtKB/SwissProt

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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/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))
BDBM6835
PNG
(6-methoxy-18-methyl-3-[3-(morpholin-4-yl)propyl]-3...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCOCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-8-17-4-6-20-23(26(17)31)25-24(28(34)30-29(25)35)22-19-7-5-18(36-2)16-21(19)33(27(20)22)10-3-9-32-12-14-37-15-13-32/h4-8,11,16H,3,9-10,12-15H2,1-2H3,(H,30,34,35)
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PC cid
PC sid
UniChem
Article
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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6835
PNG
(6-methoxy-18-methyl-3-[3-(morpholin-4-yl)propyl]-3...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCOCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-8-17-4-6-20-23(26(17)31)25-24(28(34)30-29(25)35)22-19-7-5-18(36-2)16-21(19)33(27(20)22)10-3-9-32-12-14-37-15-13-32/h4-8,11,16H,3,9-10,12-15H2,1-2H3,(H,30,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
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))
BDBM6835
PNG
(6-methoxy-18-methyl-3-[3-(morpholin-4-yl)propyl]-3...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCOCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-8-17-4-6-20-23(26(17)31)25-24(28(34)30-29(25)35)22-19-7-5-18(36-2)16-21(19)33(27(20)22)10-3-9-32-12-14-37-15-13-32/h4-8,11,16H,3,9-10,12-15H2,1-2H3,(H,30,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 716n/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