BindingDB logo
myBDB logout

BDBM31355 2,2-Di-m-tolyl-cyclopropanecarboxylic acid (2-hydroxy-4-nitro-phenyl)-amide::2,2-bis(3-methylphenyl)-N-(4-nitro-2-oxidanyl-phenyl)cyclopropane-1-carboxamide::MLS000554437::N-(2-hydroxy-4-nitro-phenyl)-2,2-bis(m-tolyl)cyclopropanecarboxamide::N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)-1-cyclopropanecarboxamide::N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide::SMR000171420::cid_3105194

SMILES: Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1

InChI Key: InChIKey=JWSPOYWIADRWOW-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 31355   
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
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31355
PNG
(2,2-Di-m-tolyl-cyclopropanecarboxylic acid (2-hydr...)
Show SMILES Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
Show InChI InChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 5.46E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FQ9TZS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31355
PNG
(2,2-Di-m-tolyl-cyclopropanecarboxylic acid (2-hydr...)
Show SMILES Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
Show InChI InChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>5.00E+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/Q228061X
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM31355
PNG
(2,2-Di-m-tolyl-cyclopropanecarboxylic acid (2-hydr...)
Show SMILES Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
Show InChI InChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>8.00E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM31355
PNG
(2,2-Di-m-tolyl-cyclopropanecarboxylic acid (2-hydr...)
Show SMILES Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
Show InChI InChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 4.54E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BV7F7H
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM31355
PNG
(2,2-Di-m-tolyl-cyclopropanecarboxylic acid (2-hydr...)
Show SMILES Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
Show InChI InChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>8.00E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM31355
PNG
(2,2-Di-m-tolyl-cyclopropanecarboxylic acid (2-hydr...)
Show SMILES Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
Show InChI InChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>8.00E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM31355
PNG
(2,2-Di-m-tolyl-cyclopropanecarboxylic acid (2-hydr...)
Show SMILES Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
Show InChI InChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 1.32E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair