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BDBM50201927 3-hydroxy-2-phenylquinoline-4-carboxylic acid::CHEMBL219376

SMILES: OC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1

InChI Key: InChIKey=XAPRFLSJBSXESP-UHFFFAOYSA-N

Data: 3 IC50  1 Kd

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 4 hits for monomerid = 50201927   
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
P-selectin


(Homo sapiens (Human))
BDBM50201927
PNG
(3-hydroxy-2-phenylquinoline-4-carboxylic acid | CH...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
PDB
MMDB

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Article
PubMed
n/an/a 6.50E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-Selectin by Biacore assay


J Med Chem 50: 40-64 (2007)


Article DOI: 10.1021/jm060631p
BindingDB Entry DOI: 10.7270/Q2BC3Z6X
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50201927
PNG
(3-hydroxy-2-phenylquinoline-4-carboxylic acid | CH...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
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Article
PubMed
n/an/an/a 1.50E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) after 15 mins by SPR inhibition in solution assay


J Med Chem 56: 3228-34 (2013)


Article DOI: 10.1021/jm301665y
BindingDB Entry DOI: 10.7270/Q2G1625N
More data for this
Ligand-Target Pair
P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201927
PNG
(3-hydroxy-2-phenylquinoline-4-carboxylic acid | CH...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
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Article
PubMed
n/an/a 6.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50201927
PNG
(3-hydroxy-2-phenylquinoline-4-carboxylic acid | CH...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair