BindingDB logo
myBDB logout

3 similar compounds to monomer 52555

Compile data set for download or QSAR
Wt: 389.3
BDBM43801
Wt: 416.4
BDBM55049
Purchase
Wt: 360.3
BDBM88194
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 43801,55049,88194   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43801
PNG
(2-nitro-N-[[(2-nitrobenzoyl)amino]carbamothioyl]be...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H11N5O6S/c21-13(9-5-1-3-7-11(9)19(23)24)16-15(27)18-17-14(22)10-6-2-4-8-12(10)20(25)26/h1-8H,(H,17,22)(H2,16,18,21,27)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.66E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM43801
PNG
(2-nitro-N-[[(2-nitrobenzoyl)amino]carbamothioyl]be...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H11N5O6S/c21-13(9-5-1-3-7-11(9)19(23)24)16-15(27)18-17-14(22)10-6-2-4-8-12(10)20(25)26/h1-8H,(H,17,22)(H2,16,18,21,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43801
PNG
(2-nitro-N-[[(2-nitrobenzoyl)amino]carbamothioyl]be...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H11N5O6S/c21-13(9-5-1-3-7-11(9)19(23)24)16-15(27)18-17-14(22)10-6-2-4-8-12(10)20(25)26/h1-8H,(H,17,22)(H2,16,18,21,27)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.40E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens (Human))
BDBM88194
PNG
(4-nitro-N-[(salicyloylamino)thiocarbamoyl]benzamid...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O5S/c20-12-4-2-1-3-11(12)14(22)17-18-15(25)16-13(21)9-5-7-10(8-6-9)19(23)24/h1-8,20H,(H,17,22)(H2,16,18,21,25)
KEGG

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43801
PNG
(2-nitro-N-[[(2-nitrobenzoyl)amino]carbamothioyl]be...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H11N5O6S/c21-13(9-5-1-3-7-11(9)19(23)24)16-15(27)18-17-14(22)10-6-2-4-8-12(10)20(25)26/h1-8H,(H,17,22)(H2,16,18,21,27)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.32E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM88194
PNG
(4-nitro-N-[(salicyloylamino)thiocarbamoyl]benzamid...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O5S/c20-12-4-2-1-3-11(12)14(22)17-18-15(25)16-13(21)9-5-7-10(8-6-9)19(23)24/h1-8,20H,(H,17,22)(H2,16,18,21,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.30E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens (Human))
BDBM55049
PNG
(MLS001212293 | N-[N'-(2-Butoxy-benzoyl)-hydraz...)
Show SMILES CCCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C19H20N4O5S/c1-2-3-12-28-16-11-7-5-9-14(16)18(25)21-22-19(29)20-17(24)13-8-4-6-10-15(13)23(26)27/h4-11H,2-3,12H2,1H3,(H,21,25)(H2,20,22,24,29)
KEGG

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM55049
PNG
(MLS001212293 | N-[N'-(2-Butoxy-benzoyl)-hydraz...)
Show SMILES CCCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C19H20N4O5S/c1-2-3-12-28-16-11-7-5-9-14(16)18(25)21-22-19(29)20-17(24)13-8-4-6-10-15(13)23(26)27/h4-11H,2-3,12H2,1H3,(H,21,25)(H2,20,22,24,29)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair