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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'N-formyl peptide receptor 2' and Ligand = 'BDBM450242'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM450242
PNG
(US10676431, Example 7 | US11117861, Example 7)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C24H19ClF3N3O4S/c1-36(34,35)20-5-3-2-4-14(20)15-7-9-19(22(28)21(15)27)31-11-10-18(23(31)32)30-24(33)29-17-8-6-13(25)12-16(17)26/h2-9,12,18H,10-11H2,1H3,(H2,29,30,33)/t18-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.10n/an/an/an/a


TBA

Assay Description
FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A mixture of forskolin (5 μM final for FPR2 or 10 μM final for FPR1) and IBMX (...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZK5KV9
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM450242
PNG
(US10676431, Example 7 | US11117861, Example 7)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C24H19ClF3N3O4S/c1-36(34,35)20-5-3-2-4-14(20)15-7-9-19(22(28)21(15)27)31-11-10-18(23(31)32)30-24(33)29-17-8-6-13(25)12-16(17)26/h2-9,12,18H,10-11H2,1H3,(H2,29,30,33)/t18-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.10n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A mixture of forskolin (5 μM final for FPR2 or 10 μM final for FPR1) and IBMX (200 μM final) were added to 384-well Proxiplates (Perki...


US Patent US10676431 (2020)


BindingDB Entry DOI: 10.7270/Q2N58QFS
More data for this
Ligand-Target Pair