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BDBM50277544 2-(3-(7-hydroxy-2-methyl-4,5-dihydro-2H-benzo[g]indazol-3-yl)propanamido)benzoic acid::CHEMBL482963

SMILES: Cn1nc-2c(CCc3cc(O)ccc-23)c1CCC(=O)Nc1ccccc1C(O)=O

InChI Key: InChIKey=VRGDFIQDEBFXNC-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50277544   
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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277544
PNG
(2-(3-(7-hydroxy-2-methyl-4,5-dihydro-2H-benzo[g]in...)
Show SMILES Cn1nc-2c(CCc3cc(O)ccc-23)c1CCC(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C22H21N3O4/c1-25-19(10-11-20(27)23-18-5-3-2-4-16(18)22(28)29)17-8-6-13-12-14(26)7-9-15(13)21(17)24-25/h2-5,7,9,12,26H,6,8,10-11H2,1H3,(H,23,27)(H,28,29)
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Similars

Article
PubMed
n/an/an/an/a 170n/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))
BDBM50277544
PNG
(2-(3-(7-hydroxy-2-methyl-4,5-dihydro-2H-benzo[g]in...)
Show SMILES Cn1nc-2c(CCc3cc(O)ccc-23)c1CCC(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C22H21N3O4/c1-25-19(10-11-20(27)23-18-5-3-2-4-16(18)22(28)29)17-8-6-13-12-14(26)7-9-15(13)21(17)24-25/h2-5,7,9,12,26H,6,8,10-11H2,1H3,(H,23,27)(H,28,29)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 35n/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