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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50059136   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50059136
PNG
(CHEMBL73078 | {(S)-7-[(1H-Benzoimidazol-2-ylmethyl...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H21N5O4/c1-26-11-13-8-12(6-7-14(13)23-17(21(26)30)9-19(27)28)20(29)22-10-18-24-15-4-2-3-5-16(15)25-18/h2-8,17,23H,9-11H2,1H3,(H,22,29)(H,24,25)(H,27,28)/t17-/m0/s1
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PubMed
15n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for vitronectin receptor, integrin alphaV-beta3


J Med Chem 40: 2289-92 (1997)


Article DOI: 10.1021/jm970205r
BindingDB Entry DOI: 10.7270/Q22V2F74
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50059136
PNG
(CHEMBL73078 | {(S)-7-[(1H-Benzoimidazol-2-ylmethyl...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H21N5O4/c1-26-11-13-8-12(6-7-14(13)23-17(21(26)30)9-19(27)28)20(29)22-10-18-24-15-4-2-3-5-16(15)25-18/h2-8,17,23H,9-11H2,1H3,(H,22,29)(H,24,25)(H,27,28)/t17-/m0/s1
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PubMed
15n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of binding to alphaV-beta3 integrin


J Med Chem 46: 4393-404 (2003)


Article DOI: 10.1021/jm020577m
BindingDB Entry DOI: 10.7270/Q2RX9D95
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50059136
PNG
(CHEMBL73078 | {(S)-7-[(1H-Benzoimidazol-2-ylmethyl...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H21N5O4/c1-26-11-13-8-12(6-7-14(13)23-17(21(26)30)9-19(27)28)20(29)22-10-18-24-15-4-2-3-5-16(15)25-18/h2-8,17,23H,9-11H2,1H3,(H,22,29)(H,24,25)(H,27,28)/t17-/m0/s1
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24n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50059136
PNG
(CHEMBL73078 | {(S)-7-[(1H-Benzoimidazol-2-ylmethyl...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H21N5O4/c1-26-11-13-8-12(6-7-14(13)23-17(21(26)30)9-19(27)28)20(29)22-10-18-24-15-4-2-3-5-16(15)25-18/h2-8,17,23H,9-11H2,1H3,(H,22,29)(H,24,25)(H,27,28)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PubMed
24n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates


Bioorg Med Chem Lett 8: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2NG4PSF
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059136
PNG
(CHEMBL73078 | {(S)-7-[(1H-Benzoimidazol-2-ylmethyl...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H21N5O4/c1-26-11-13-8-12(6-7-14(13)23-17(21(26)30)9-19(27)28)20(29)22-10-18-24-15-4-2-3-5-16(15)25-18/h2-8,17,23H,9-11H2,1H3,(H,22,29)(H,24,25)(H,27,28)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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Article
PubMed
5.20E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for platelet fibrinogen receptor, integrin alpha IIb/beta3


J Med Chem 40: 2289-92 (1997)


Article DOI: 10.1021/jm970205r
BindingDB Entry DOI: 10.7270/Q22V2F74
More data for this
Ligand-Target Pair