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BDBM23520 2-{3-[4-(2-chloro-4-hydroxyphenyl)phenyl]propanamido}benzoic acid::Biaryl Anthranilide Analogue, 1d

SMILES: OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1Cl

InChI Key: InChIKey=IGQQDBCXUBUFTM-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 23520   
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))
BDBM23520
PNG
(2-{3-[4-(2-chloro-4-hydroxyphenyl)phenyl]propanami...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C22H18ClNO4/c23-19-13-16(25)10-11-17(19)15-8-5-14(6-9-15)7-12-21(26)24-20-4-2-1-3-18(20)22(27)28/h1-6,8-11,13,25H,7,12H2,(H,24,26)(H,27,28)
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Article
PubMed
n/an/a 4n/a 45n/an/a7.423



Merck Research Laboratories



Assay Description
Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ...


J Med Chem 50: 6303-6 (2007)


Article DOI: 10.1021/jm700942d
BindingDB Entry DOI: 10.7270/Q29S1PBG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23520
PNG
(2-{3-[4-(2-chloro-4-hydroxyphenyl)phenyl]propanami...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C22H18ClNO4/c23-19-13-16(25)10-11-17(19)15-8-5-14(6-9-15)7-12-21(26)24-20-4-2-1-3-18(20)22(27)28/h1-6,8-11,13,25H,7,12H2,(H,24,26)(H,27,28)
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-nicotinic acid from N-flag-tagged human HCA2 receptor expressed in HEK293T cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 4013-25 (2015)


Article DOI: 10.1016/j.bmc.2015.02.018
BindingDB Entry DOI: 10.7270/Q22N558B
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23520
PNG
(2-{3-[4-(2-chloro-4-hydroxyphenyl)phenyl]propanami...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C22H18ClNO4/c23-19-13-16(25)10-11-17(19)15-8-5-14(6-9-15)7-12-21(26)24-20-4-2-1-3-18(20)22(27)28/h1-6,8-11,13,25H,7,12H2,(H,24,26)(H,27,28)
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23520
PNG
(2-{3-[4-(2-chloro-4-hydroxyphenyl)phenyl]propanami...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C22H18ClNO4/c23-19-13-16(25)10-11-17(19)15-8-5-14(6-9-15)7-12-21(26)24-20-4-2-1-3-18(20)22(27)28/h1-6,8-11,13,25H,7,12H2,(H,24,26)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 45n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair