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2 similar compounds to monomer 31362

Compile data set for download or QSAR
Wt: 397.8
BDBM31360
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Wt: 437.8
BDBM57689
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31360,57689   
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 (Human))
BDBM31360
PNG
(4-fluorobenzoic acid [2-(3-chloro-4-methyl-anilino...)
Show SMILES Cc1ccc(NC(=O)C(OC(=O)c2ccc(F)cc2)c2ccccc2)cc1Cl
Show InChI InChI=1S/C22H17ClFNO3/c1-14-7-12-18(13-19(14)23)25-21(26)20(15-5-3-2-4-6-15)28-22(27)16-8-10-17(24)11-9-16/h2-13,20H,1H3,(H,25,26)
Reactome pathway
KEGG

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.57E+4n/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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57689
PNG
(4-(carbamoylamino)benzoic acid [2-(3-chloro-4-meth...)
Show SMILES Cc1ccc(NC(=O)C(OC(=O)c2ccc(NC(N)=O)cc2)c2ccccc2)cc1Cl
Show InChI InChI=1S/C23H20ClN3O4/c1-14-7-10-18(13-19(14)24)26-21(28)20(15-5-3-2-4-6-15)31-22(29)16-8-11-17(12-9-16)27-23(25)30/h2-13,20H,1H3,(H,26,28)(H3,25,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31360
PNG
(4-fluorobenzoic acid [2-(3-chloro-4-methyl-anilino...)
Show SMILES Cc1ccc(NC(=O)C(OC(=O)c2ccc(F)cc2)c2ccccc2)cc1Cl
Show InChI InChI=1S/C22H17ClFNO3/c1-14-7-12-18(13-19(14)23)25-21(26)20(15-5-3-2-4-6-15)28-22(27)16-8-10-17(24)11-9-16/h2-13,20H,1H3,(H,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.41E+3n/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