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SMILES: [#6]-[#6]-c1cc(-[#6]=[#6]-[#6](-[#8])=O)ccc1-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7]

InChI Key: InChIKey=DMJMBJHEDODVMW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50141357   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50141357
PNG
(3-[3-Ethyl-4-(3-guanidino-benzoylamino)-phenyl]-ac...)
Show SMILES [#6]-[#6]-c1cc(-[#6]=[#6]-[#6](-[#8])=O)ccc1-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7] |w:6.6|
Show InChI InChI=1S/C19H20N4O3/c1-2-13-10-12(7-9-17(24)25)6-8-16(13)23-18(26)14-4-3-5-15(11-14)22-19(20)21/h3-11H,2H2,1H3,(H,23,26)(H,24,25)(H4,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50141357
PNG
(3-[3-Ethyl-4-(3-guanidino-benzoylamino)-phenyl]-ac...)
Show SMILES [#6]-[#6]-c1cc(-[#6]=[#6]-[#6](-[#8])=O)ccc1-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7] |w:6.6|
Show InChI InChI=1S/C19H20N4O3/c1-2-13-10-12(7-9-17(24)25)6-8-16(13)23-18(26)14-4-3-5-15(11-14)22-19(20)21/h3-11H,2H2,1H3,(H,23,26)(H,24,25)(H4,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair