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BDBM50277676 2-(3-(8-hydroxy-5-methyl-6-oxo-5,6-dihydrophenanthridin-3-yl)propanamido)benzoic acid::CHEMBL485184

SMILES: Cn1c2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c2ccc(O)cc2c1=O

InChI Key: InChIKey=OEIQJASFNKOLHW-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50277676   
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50277676
PNG
(2-(3-(8-hydroxy-5-methyl-6-oxo-5,6-dihydrophenanth...)
Show SMILES Cn1c2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c2ccc(O)cc2c1=O
Show InChI InChI=1S/C24H20N2O5/c1-26-21-12-14(6-9-17(21)16-10-8-15(27)13-19(16)23(26)29)7-11-22(28)25-20-5-3-2-4-18(20)24(30)31/h2-6,8-10,12-13,27H,7,11H2,1H3,(H,25,28)(H,30,31)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277676
PNG
(2-(3-(8-hydroxy-5-methyl-6-oxo-5,6-dihydrophenanth...)
Show SMILES Cn1c2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c2ccc(O)cc2c1=O
Show InChI InChI=1S/C24H20N2O5/c1-26-21-12-14(6-9-17(21)16-10-8-15(27)13-19(16)23(26)29)7-11-22(28)25-20-5-3-2-4-18(20)24(30)31/h2-6,8-10,12-13,27H,7,11H2,1H3,(H,25,28)(H,30,31)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assay


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277676
PNG
(2-(3-(8-hydroxy-5-methyl-6-oxo-5,6-dihydrophenanth...)
Show SMILES Cn1c2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c2ccc(O)cc2c1=O
Show InChI InChI=1S/C24H20N2O5/c1-26-21-12-14(6-9-17(21)16-10-8-15(27)13-19(16)23(26)29)7-11-22(28)25-20-5-3-2-4-18(20)24(30)31/h2-6,8-10,12-13,27H,7,11H2,1H3,(H,25,28)(H,30,31)
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PC cid
PC sid
UniChem
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair