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SMILES: COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2NS(C)(=O)=O)cc1

InChI Key: InChIKey=IAXJUOFHCLKDII-XMMPIXPASA-N

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 = 454206   
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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM454206
PNG
(US10717708, Example 199 | US11186544, Example 199)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C26H28N4O5S/c1-35-21-15-11-19(12-16-21)27-26(32)28-24-8-5-17-30(25(24)31)20-13-9-18(10-14-20)22-6-3-4-7-23(22)29-36(2,33)34/h3-4,6-7,9-16,24,29H,5,8,17H2,1-2H3,(H2,27,28,32)/t24-/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.280n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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 (...


US Patent US10717708 (2020)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM454206
PNG
(US10717708, Example 199 | US11186544, Example 199)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C26H28N4O5S/c1-35-21-15-11-19(12-16-21)27-26(32)28-24-8-5-17-30(25(24)31)20-13-9-18(10-14-20)22-6-3-4-7-23(22)29-36(2,33)34/h3-4,6-7,9-16,24,29H,5,8,17H2,1-2H3,(H2,27,28,32)/t24-/m1/s1
PDB

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PC cid
PC sid
UniChem
n/an/an/an/a 140n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM454206
PNG
(US10717708, Example 199 | US11186544, Example 199)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C26H28N4O5S/c1-35-21-15-11-19(12-16-21)27-26(32)28-24-8-5-17-30(25(24)31)20-13-9-18(10-14-20)22-6-3-4-7-23(22)29-36(2,33)34/h3-4,6-7,9-16,24,29H,5,8,17H2,1-2H3,(H2,27,28,32)/t24-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 0.280n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM454206
PNG
(US10717708, Example 199 | US11186544, Example 199)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C26H28N4O5S/c1-35-21-15-11-19(12-16-21)27-26(32)28-24-8-5-17-30(25(24)31)20-13-9-18(10-14-20)22-6-3-4-7-23(22)29-36(2,33)34/h3-4,6-7,9-16,24,29H,5,8,17H2,1-2H3,(H2,27,28,32)/t24-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 140n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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 (...


US Patent US10717708 (2020)

More data for this
Ligand-Target Pair