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SMILES: COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2C(N)=O)cc1Cl

InChI Key: InChIKey=SJYNWIVHSSCSHL-JOCHJYFZSA-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 = 454200   
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))
BDBM454200
PNG
(US10717708, Example 176 | US11186544, Example 176)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2C(N)=O)cc1Cl |r|
Show InChI InChI=1S/C26H25ClN4O4/c1-35-23-13-10-17(15-21(23)27)29-26(34)30-22-7-4-14-31(25(22)33)18-11-8-16(9-12-18)19-5-2-3-6-20(19)24(28)32/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3,(H2,28,32)(H2,29,30,34)/t22-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 780n/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))
BDBM454200
PNG
(US10717708, Example 176 | US11186544, Example 176)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2C(N)=O)cc1Cl |r|
Show InChI InChI=1S/C26H25ClN4O4/c1-35-23-13-10-17(15-21(23)27)29-26(34)30-22-7-4-14-31(25(22)33)18-11-8-16(9-12-18)19-5-2-3-6-20(19)24(28)32/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3,(H2,28,32)(H2,29,30,34)/t22-/m1/s1
PDB

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PC cid
PC sid
UniChem
n/an/an/an/a 1.20E+3n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM454200
PNG
(US10717708, Example 176 | US11186544, Example 176)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2C(N)=O)cc1Cl |r|
Show InChI InChI=1S/C26H25ClN4O4/c1-35-23-13-10-17(15-21(23)27)29-26(34)30-22-7-4-14-31(25(22)33)18-11-8-16(9-12-18)19-5-2-3-6-20(19)24(28)32/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3,(H2,28,32)(H2,29,30,34)/t22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 780n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM454200
PNG
(US10717708, Example 176 | US11186544, Example 176)
Show SMILES COc1ccc(NC(=O)N[C@@H]2CCCN(C2=O)c2ccc(cc2)-c2ccccc2C(N)=O)cc1Cl |r|
Show InChI InChI=1S/C26H25ClN4O4/c1-35-23-13-10-17(15-21(23)27)29-26(34)30-22-7-4-14-31(25(22)33)18-11-8-16(9-12-18)19-5-2-3-6-20(19)24(28)32/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3,(H2,28,32)(H2,29,30,34)/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.20E+3n/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