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BDBM40404 UNM000003536701::[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-7-yl] ethanoate::[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate::acetic acid [6-ethyl-2-methyl-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-7-yl] ester::acetic acid [6-ethyl-4-keto-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-7-yl] ester::cid_3092570

SMILES: CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1nc3ccccc3n1C)c2=O

InChI Key: InChIKey=HTTVYKXJCQENKW-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 = 40404   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40404
PNG
(UNM000003536701 | [6-ethyl-2-methyl-3-(1-methylben...)
Show SMILES CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1nc3ccccc3n1C)c2=O |(15.91,-2.7,;15.92,-1.16,;14.59,-.39,;13.19,-1.18,;11.82,-.36,;11.82,1.18,;13.19,2.01,;14.59,1.22,;15.92,1.99,;15.91,3.53,;17.24,4.31,;14.58,4.3,;10.48,1.95,;9.15,1.18,;7.82,1.95,;9.15,-.36,;7.82,-1.13,;6.42,-.5,;5.39,-1.64,;3.85,-1.64,;3.08,-2.97,;3.85,-4.31,;5.39,-4.31,;6.16,-2.97,;7.66,-2.65,;8.8,-3.68,;10.48,-1.13,;10.48,-2.67,)|
Show InChI InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3
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300n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40404
PNG
(UNM000003536701 | [6-ethyl-2-methyl-3-(1-methylben...)
Show SMILES CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1nc3ccccc3n1C)c2=O |(15.91,-2.7,;15.92,-1.16,;14.59,-.39,;13.19,-1.18,;11.82,-.36,;11.82,1.18,;13.19,2.01,;14.59,1.22,;15.92,1.99,;15.91,3.53,;17.24,4.31,;14.58,4.3,;10.48,1.95,;9.15,1.18,;7.82,1.95,;9.15,-.36,;7.82,-1.13,;6.42,-.5,;5.39,-1.64,;3.85,-1.64,;3.08,-2.97,;3.85,-4.31,;5.39,-4.31,;6.16,-2.97,;7.66,-2.65,;8.8,-3.68,;10.48,-1.13,;10.48,-2.67,)|
Show InChI InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3
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>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26M3571
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40404
PNG
(UNM000003536701 | [6-ethyl-2-methyl-3-(1-methylben...)
Show SMILES CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1nc3ccccc3n1C)c2=O |(15.91,-2.7,;15.92,-1.16,;14.59,-.39,;13.19,-1.18,;11.82,-.36,;11.82,1.18,;13.19,2.01,;14.59,1.22,;15.92,1.99,;15.91,3.53,;17.24,4.31,;14.58,4.3,;10.48,1.95,;9.15,1.18,;7.82,1.95,;9.15,-.36,;7.82,-1.13,;6.42,-.5,;5.39,-1.64,;3.85,-1.64,;3.08,-2.97,;3.85,-4.31,;5.39,-4.31,;6.16,-2.97,;7.66,-2.65,;8.8,-3.68,;10.48,-1.13,;10.48,-2.67,)|
Show InChI InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3
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n/an/a 500n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TB1590
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM40404
PNG
(UNM000003536701 | [6-ethyl-2-methyl-3-(1-methylben...)
Show SMILES CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1nc3ccccc3n1C)c2=O |(15.91,-2.7,;15.92,-1.16,;14.59,-.39,;13.19,-1.18,;11.82,-.36,;11.82,1.18,;13.19,2.01,;14.59,1.22,;15.92,1.99,;15.91,3.53,;17.24,4.31,;14.58,4.3,;10.48,1.95,;9.15,1.18,;7.82,1.95,;9.15,-.36,;7.82,-1.13,;6.42,-.5,;5.39,-1.64,;3.85,-1.64,;3.08,-2.97,;3.85,-4.31,;5.39,-4.31,;6.16,-2.97,;7.66,-2.65,;8.8,-3.68,;10.48,-1.13,;10.48,-2.67,)|
Show InChI InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3
PDB

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n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q22V2DH9
More data for this
Ligand-Target Pair