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BDBM6827 3-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]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. 11e

SMILES: COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

InChI Key: InChIKey=RJJJYNLCFWBFRI-KRWDZBQOSA-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 = 6827   
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))
BDBM6827
PNG
(3-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}...)
Show SMILES COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-9-16-5-7-20-23(26(16)31)25-24(28(35)30-29(25)36)22-19-8-6-18(37-2)14-21(19)33(27(20)22)13-12-32-10-3-4-17(32)15-34/h5-9,11,14,17,34H,3-4,10,12-13,15H2,1-2H3,(H,30,35,36)/t17-/m0/s1
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Article
PubMed
n/an/a 84n/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))
BDBM6827
PNG
(3-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}...)
Show SMILES COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-9-16-5-7-20-23(26(16)31)25-24(28(35)30-29(25)36)22-19-8-6-18(37-2)14-21(19)33(27(20)22)13-12-32-10-3-4-17(32)15-34/h5-9,11,14,17,34H,3-4,10,12-13,15H2,1-2H3,(H,30,35,36)/t17-/m0/s1
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Article
PubMed
n/an/a 23n/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))
BDBM6827
PNG
(3-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}...)
Show SMILES COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-9-16-5-7-20-23(26(16)31)25-24(28(35)30-29(25)36)22-19-8-6-18(37-2)14-21(19)33(27(20)22)13-12-32-10-3-4-17(32)15-34/h5-9,11,14,17,34H,3-4,10,12-13,15H2,1-2H3,(H,30,35,36)/t17-/m0/s1
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Article
PubMed
n/an/a 6.12E+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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6827
PNG
(3-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}...)
Show SMILES COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-9-16-5-7-20-23(26(16)31)25-24(28(35)30-29(25)36)22-19-8-6-18(37-2)14-21(19)33(27(20)22)13-12-32-10-3-4-17(32)15-34/h5-9,11,14,17,34H,3-4,10,12-13,15H2,1-2H3,(H,30,35,36)/t17-/m0/s1
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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...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6827
PNG
(3-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}...)
Show SMILES COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-9-16-5-7-20-23(26(16)31)25-24(28(35)30-29(25)36)22-19-8-6-18(37-2)14-21(19)33(27(20)22)13-12-32-10-3-4-17(32)15-34/h5-9,11,14,17,34H,3-4,10,12-13,15H2,1-2H3,(H,30,35,36)/t17-/m0/s1
PDB

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antibodypedia
antibodypedia
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 942n/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