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BDBM50201984 2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-benzo[h]-quinoline-4-carboxylic acid::2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid::CHEMBL219046

SMILES: OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12

InChI Key: InChIKey=DIEPFYNZGUUVHD-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50201984   
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/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201984
PNG
(2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-...)
Show SMILES OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12
Show InChI InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26)
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PC sid
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Similars

Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PSGL-1 by surface plasmon resonance assay


J Med Chem 53: 6003-17 (2010)


Article DOI: 10.1021/jm9013696
BindingDB Entry DOI: 10.7270/Q2R211M0
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201984
PNG
(2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-...)
Show SMILES OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12
Show InChI InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26)
PDB
MMDB

NCI pathway
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KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.25E+5n/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