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BDBM50284316 12-(3-dimethylamino-2-hydroxypropyl)-9-methoxy-13-methyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one::CHEMBL345639

SMILES: COc1ccc2n(CC(O)CN(C)C)c3c(c4CNC(=O)c4c4c5ccccc5n(C)c34)c2c1

InChI Key: InChIKey=XIXAQIBBURNBNH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50284316   
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
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50284316
PNG
(12-(3-dimethylamino-2-hydroxypropyl)-9-methoxy-13-...)
Show SMILES COc1ccc2n(CC(O)CN(C)C)c3c(c4CNC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-29(2)13-15(32)14-31-21-10-9-16(34-4)11-18(21)22-19-12-28-27(33)24(19)23-17-7-5-6-8-20(17)30(3)25(23)26(22)31/h5-11,15,32H,12-14H2,1-4H3,(H,28,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 9.20E+3n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
cGMP-Dependent Protein Kinase


(Bos taurus (bovine))
BDBM50284316
PNG
(12-(3-dimethylamino-2-hydroxypropyl)-9-methoxy-13-...)
Show SMILES COc1ccc2n(CC(O)CN(C)C)c3c(c4CNC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-29(2)13-15(32)14-31-21-10-9-16(34-4)11-18(21)22-19-12-28-27(33)24(19)23-17-7-5-6-8-20(17)30(3)25(23)26(22)31/h5-11,15,32H,12-14H2,1-4H3,(H,28,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.30E+4n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
Tested for inhibition of cGMP-dependent protein kinase from bovine lung


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BLK


(Mus musculus)
BDBM50284316
PNG
(12-(3-dimethylamino-2-hydroxypropyl)-9-methoxy-13-...)
Show SMILES COc1ccc2n(CC(O)CN(C)C)c3c(c4CNC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-29(2)13-15(32)14-31-21-10-9-16(34-4)11-18(21)22-19-12-28-27(33)24(19)23-17-7-5-6-8-20(17)30(3)25(23)26(22)31/h5-11,15,32H,12-14H2,1-4H3,(H,28,33)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+4n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
Tested for inhibition of general tyrosine-specific protein kinase activity from murine B cell lysate


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair