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BDBM14174 12,13-Dihydro-5H,6H,14H-naphthy[3,4-a]pyrrolo[3,4-c]carbazole-7(7H)one::3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-12-one::Pyrrolocarbazole Analog 8

SMILES: O=C1NCc2c1c1c([nH]c3ccccc13)c1CCc3ccccc3-c21

InChI Key: InChIKey=RAOJISQDGOOXTK-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 = 14174   
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
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14174
PNG
(12,13-Dihydro-5H,6H,14H-naphthy[3,4-a]pyrrolo[3,4-...)
Show SMILES O=C1NCc2c1c1c([nH]c3ccccc13)c1CCc3ccccc3-c21
Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)18-13-6-2-1-5-12(13)9-10-15(18)21-19(20)14-7-3-4-8-17(14)24-21/h1-8,24H,9-11H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 46n/an/an/an/a7.237



Cephalon



Assay Description
The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...


J Med Chem 50: 433-41 (2007)

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 2 (MLK2)


(Homo sapiens)
BDBM14174
PNG
(12,13-Dihydro-5H,6H,14H-naphthy[3,4-a]pyrrolo[3,4-...)
Show SMILES O=C1NCc2c1c1c([nH]c3ccccc13)c1CCc3ccccc3-c21
Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)18-13-6-2-1-5-12(13)9-10-15(18)21-19(20)14-7-3-4-8-17(14)24-21/h1-8,24H,9-11H2,(H,23,25)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.45E+3n/an/an/an/an/an/a



Cephalon



Assay Description
The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...


J Med Chem 50: 433-41 (2007)

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM14174
PNG
(12,13-Dihydro-5H,6H,14H-naphthy[3,4-a]pyrrolo[3,4-...)
Show SMILES O=C1NCc2c1c1c([nH]c3ccccc13)c1CCc3ccccc3-c21
Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)18-13-6-2-1-5-12(13)9-10-15(18)21-19(20)14-7-3-4-8-17(14)24-21/h1-8,24H,9-11H2,(H,23,25)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Cephalon



Assay Description
The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...


J Med Chem 50: 433-41 (2007)

More data for this
Ligand-Target Pair