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SMILES: [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O

InChI Key: InChIKey=IFUROQAKNZUNFY-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 = 50141310   
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))
BDBM50141310
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-methanes...)
Show SMILES [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)23-15(17(25)26)9-11-5-7-13(8-6-11)21-16(24)12-3-2-4-14(10-12)22-18(19)20/h2-8,10,15,23H,9H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 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))
BDBM50141310
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-methanes...)
Show SMILES [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)23-15(17(25)26)9-11-5-7-13(8-6-11)21-16(24)12-3-2-4-14(10-12)22-18(19)20/h2-8,10,15,23H,9H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.980n/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))
BDBM50141310
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-methanes...)
Show SMILES [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)23-15(17(25)26)9-11-5-7-13(8-6-11)21-16(24)12-3-2-4-14(10-12)22-18(19)20/h2-8,10,15,23H,9H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.630n/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-5


(Homo sapiens (Human))
BDBM50141310
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-methanes...)
Show SMILES [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)23-15(17(25)26)9-11-5-7-13(8-6-11)21-16(24)12-3-2-4-14(10-12)22-18(19)20/h2-8,10,15,23H,9H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.10n/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-IIb/beta-3


(Homo sapiens (Human))
BDBM50141310
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-methanes...)
Show SMILES [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)23-15(17(25)26)9-11-5-7-13(8-6-11)21-16(24)12-3-2-4-14(10-12)22-18(19)20/h2-8,10,15,23H,9H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 16n/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