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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50010720   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50541480
PNG
(CHEMBL4648435)
Show SMILES CCCCn1cc(NC(=O)CCc2nc(no2)-c2ccc(O)cn2)c(c1)C(O)=O
Show InChI InChI=1S/C19H21N5O5/c1-2-3-8-24-10-13(19(27)28)15(11-24)21-16(26)6-7-17-22-18(23-29-17)14-5-4-12(25)9-20-14/h4-5,9-11,25H,2-3,6-8H2,1H3,(H,21,26)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor in human adipocytes assessed as inhibition of lipolysis


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50541473
PNG
(CHEMBL4632359)
Show SMILES CCCCn1cc(NC(=O)CCc2ccc3c(Cl)c(O)ccc3c2)c(c1)C(O)=O
Show InChI InChI=1S/C22H23ClN2O4/c1-2-3-10-25-12-17(22(28)29)18(13-25)24-20(27)9-5-14-4-7-16-15(11-14)6-8-19(26)21(16)23/h4,6-8,11-13,26H,2-3,5,9-10H2,1H3,(H,24,27)(H,28,29)
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n/an/a 65n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor in human adipocytes assessed as inhibition of lipolysis


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23515
PNG
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)
Show SMILES OC(=O)c1cccnc1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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Similars

DrugBank
PubMed
n/an/a 160n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor in human adipocytes assessed as inhibition of lipolysis


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50541467
PNG
(CHEMBL4647392)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc2c(Cl)c(O)ccc2c1
Show InChI InChI=1S/C20H16ClNO4/c21-19-14-8-5-12(11-13(14)7-9-17(19)23)6-10-18(24)22-16-4-2-1-3-15(16)20(25)26/h1-5,7-9,11,23H,6,10H2,(H,22,24)(H,25,26)
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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
PubMed
n/an/a 290n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor in human adipocytes assessed as inhibition of lipolysis


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair