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BDBM50433916 PS653 ('1,6-dihydrodibenzo[c,d,g]indazol-6-one)::SP-600125

SMILES: O=C1c2ccccc2-c2[nH]nc3cccc1c23

InChI Key: InChIKey=ACPOUJIDANTYHO-UHFFFAOYSA-N

Data: 4 IC50  1 Kd  1 ITC

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 = 50433916   
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
3-Phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50433916
PNG
(PS653 ('1,6-dihydrodibenzo[c,d,g]indazol-6-one...)
Show SMILES O=C1c2ccccc2-c2[nH]nc3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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UniChem

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Article
PubMed
n/an/an/a 1.25E+3n/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Titrations were performed by a 0.4 µl injection followed by 19 successive injections (2 µl) of each compound(adenosine 500 µM, PS653 250 µM) into a 2...


Cell Chem Biol 23: 1193-1205 (2016)


Article DOI: 10.1016/j.chembiol.2016.06.017
BindingDB Entry DOI: 10.7270/Q23N226C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50433916
PNG
(PS653 ('1,6-dihydrodibenzo[c,d,g]indazol-6-one...)
Show SMILES O=C1c2ccccc2-c2[nH]nc3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human JNK2


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50433916
PNG
(PS653 ('1,6-dihydrodibenzo[c,d,g]indazol-6-one...)
Show SMILES O=C1c2ccccc2-c2[nH]nc3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)


J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50433916
PNG
(PS653 ('1,6-dihydrodibenzo[c,d,g]indazol-6-one...)
Show SMILES O=C1c2ccccc2-c2[nH]nc3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human JNK1


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50433916
PNG
(PS653 ('1,6-dihydrodibenzo[c,d,g]indazol-6-one...)
Show SMILES O=C1c2ccccc2-c2[nH]nc3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human JNK3


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50433916
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
3-phosphoinositide dependent protein kinase-1

(Homo sapiens (Human))
BDBM50433916
JPEG
(PS653 ('1,6-dihydrodibenzo[c,d,g]indazol-6-one...)
GoogleScholar
PDB
PC cid
PC sid
-8.37-7.19-1.205.90n/a36.9



Universitätsklinikum Frankfurt





Cell Chem Biol 23: 1193-1205 (2016)