BindingDB logo
myBDB logout

BDBM50099692 CHEMBL51314::N-(9,10-Dioxo-9,10-dihydro-phenanthren-2-yl)-2,2-dimethyl-propionamide::N-(9,10-Dioxo-9,10-dihydro-phenanthrene-2-yl)-2,2-dimethyl-propionamide::N-(9,10-dioxo-9,10-dihydrophenanthren-2-yl)-2,2-dimethylpropionamide

SMILES: CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

InChI Key: InChIKey=VZQDDSYKVYARDW-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50099692   
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
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



United States Army Medical Research Institute of Infectious Diseases



Assay Description
Protein phosphatases were purchased from Upstate Biotechnology (Lake Placid, NY).


J Biol Chem 284: 12874-85 (2009)


Article DOI: 10.1074/jbc.M809633200
BindingDB Entry DOI: 10.7270/Q2J67FJV
More data for this
Ligand-Target Pair
Fas-associated protein-tyrosine phosphatase 1 (FAP1)


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 pNPP


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 400n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cathepsin S


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against CD45 protein-tyrosine phosphatase using lck-10 mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Fas-associated protein-tyrosine phosphatase 1 (FAP1)


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using lck-10 mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Fas-associated protein-tyrosine phosphatase 1 (FAP1)


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase N13 (unknown origin) phosphorylation


J Biol Chem 282: 35361-72 (2007)


Article DOI: 10.1074/jbc.M706923200
BindingDB Entry DOI: 10.7270/Q25M65HF
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

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



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cathepsin B


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 200n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the cytosolic portion of CD45 protein-tyrosine phosphatase using pNPP as the substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 500n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cathepsin L


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin) phosphorylation


J Biol Chem 282: 35361-72 (2007)


Article DOI: 10.1074/jbc.M706923200
BindingDB Entry DOI: 10.7270/Q25M65HF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase N1 (unknown origin) phosphorylation


J Biol Chem 282: 35361-72 (2007)


Article DOI: 10.1074/jbc.M706923200
BindingDB Entry DOI: 10.7270/Q25M65HF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against PTP1B using lck as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair