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SMILES: [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O

InChI Key: InChIKey=HYVACKHLRSIRHV-UHFFFAOYSA-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 5 hits for monomerid = 50141331   
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-V/beta-1


(Homo sapiens (Human))
BDBM50141331
PNG
(CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...)
Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 222n/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-IIb/beta-3


(Homo sapiens (Human))
BDBM50141331
PNG
(CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...)
Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 54n/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
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50141331
PNG
(CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...)
Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 102n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (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))
BDBM50141331
PNG
(CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...)
Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta3 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
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50141331
PNG
(CHEMBL290028 | [4-(3-Guanidino-benzoylamino)-2-met...)
Show SMILES [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O
Show InChI InChI=1S/C17H18N4O5/c1-25-14-8-12(5-6-13(14)26-9-15(22)23)20-16(24)10-3-2-4-11(7-10)21-17(18)19/h2-8H,9H2,1H3,(H,20,24)(H,22,23)(H4,18,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30n/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