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Compile Data Set for Download or QSAR

Found 207 hits with Last Name = 'meyer' and Initial = 'dm'   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209482
PNG
((3S)-3-(5-chloro-2-hydroxy-3-methylphenyl)-3-(2-(3...)
Show SMILES [#6]-c1cc(Cl)cc(-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c2cc(-[#8])cc(c2)\[#7]=[#6]-2\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-2)c1-[#8]
Show InChI InChI=1S/C23H26ClN5O7/c1-11-2-13(24)5-17(21(11)35)18(7-20(33)34)29-19(32)10-25-22(36)12-3-14(6-15(30)4-12)28-23-26-8-16(31)9-27-23/h2-6,16,18,30-31,35H,7-10H2,1H3,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t18-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209479
PNG
((beta1S)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H22BrClFN5O5/c23-16-6-12(24)5-15(20(16)34)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209459
PNG
((3R)-3-(2-(3-amino-5-(5-hydroxy-1,4,5,6-tetrahydro...)
Show SMILES [#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1
Show InChI InChI=1S/C22H24ClIN6O6/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-12(25)5-13(2-10)29-22-27-7-14(31)8-28-22/h1-5,14,17,31,35H,6-9,25H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209446
PNG
((3S)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-h...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H23Cl2N5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209471
PNG
((3S)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8]
Show InChI InChI=1S/C21H22BrClN6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209441
PNG
((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cncc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C21H21BrClFN6O5/c22-15-3-11(23)2-14(19(15)34)16(4-18(32)33)30-17(31)9-26-20(35)10-1-13(8-25-5-10)29-21-27-6-12(24)7-28-21/h1-3,5,8,12,16,34H,4,6-7,9H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t16-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209461
PNG
((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C21H22BrClN6O6/c22-15-3-11(23)2-14(19(15)34)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209456
PNG
((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H23BrClN5O6/c23-16-6-12(24)5-15(20(16)34)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209450
PNG
((beta1R)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H22BrClFN5O6/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209428
PNG
((3R)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cncc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C21H21BrClFN6O5/c22-15-3-11(23)2-14(19(15)34)16(4-18(32)33)30-17(31)9-26-20(35)10-1-13(8-25-5-10)29-21-27-6-12(24)7-28-21/h1-3,5,8,12,16,34H,4,6-7,9H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t16-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209475
PNG
((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-h...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H23Cl2N5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209463
PNG
((beta1S)-3,5-dichloro-b-[[[[3-[(5-hydroxy-1,4,5,6-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H23Cl2N5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209486
PNG
((S)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-hydro...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H23Cl2N5O6/c23-12-6-15(20(34)16(24)7-12)17(9-19(32)33)29-18(31)10-27-21(35)11-4-13(8-14(30)5-11)28-22-25-2-1-3-26-22/h4-8,17,30,34H,1-3,9-10H2,(H,27,35)(H,29,31)(H,32,33)(H2,25,26,28)/t17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209431
PNG
((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-f...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H22Cl2FN5O5/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209488
PNG
((3S)-3-(2-hydroxy-3,5-dimethylphenyl)-3-(2-(3-hydr...)
Show SMILES [#6]-c1cc(-[#6])c(-[#8])c(c1)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1
Show InChI InChI=1S/C24H29N5O7/c1-12-3-13(2)22(35)18(4-12)19(8-21(33)34)29-20(32)11-25-23(36)14-5-15(7-16(30)6-14)28-24-26-9-17(31)10-27-24/h3-7,17,19,30-31,35H,8-11H2,1-2H3,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209489
PNG
((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-f...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cncc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C21H21Cl2FN6O5/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)30-17(31)9-26-20(35)10-1-13(8-25-5-10)29-21-27-6-12(24)7-28-21/h1-3,5,8,12,16,34H,4,6-7,9H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t16-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209460
PNG
((3R)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C21H22BrClN6O6/c22-15-3-11(23)2-14(19(15)34)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209439
PNG
((3R)-3-(5-chloro-2-hydroxy-3-iodophenyl)-3-(2-(3-(...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8]
Show InChI InChI=1S/C22H23ClIN5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209483
PNG
((beta1R)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H22BrClFN5O6/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209481
PNG
((3R)-3-(5-chloro-2-hydroxy-3-iodophenyl)-3-(2-(3-(...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8]
Show InChI InChI=1S/C21H22ClIN6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209477
PNG
((beta1R)-3-bromo-5-chloro-b-[[[[3-[(5-fluoro-1,4,5...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H22BrClFN5O5/c23-16-6-12(24)5-15(20(16)34)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209448
PNG
((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-f...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H22Cl2FN5O6/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209425
PNG
((3R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8]
Show InChI InChI=1S/C21H22BrClN6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209487
PNG
((3S)-3-(5-chloro-2-hydroxy-3-iodophenyl)-3-(2-(3-(...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8]
Show InChI InChI=1S/C22H23ClIN5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209438
PNG
((3R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-(5-hy...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Br)c1-[#8]
Show InChI InChI=1S/C21H22Br2N6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209469
PNG
((S)-3-bromo-5-chloro-2-hydroxy-b-[[2-[[[3-hydroxy-...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H23BrClN5O6/c23-16-7-12(24)6-15(20(16)34)17(9-19(32)33)29-18(31)10-27-21(35)11-4-13(8-14(30)5-11)28-22-25-2-1-3-26-22/h4-8,17,30,34H,1-3,9-10H2,(H,27,35)(H,29,31)(H,32,33)(H2,25,26,28)/t17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209452
PNG
((S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-(...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H23BrClN5O5/c23-16-9-13(24)8-15(20(16)33)17(10-19(31)32)29-18(30)11-27-21(34)12-3-1-4-14(7-12)28-22-25-5-2-6-26-22/h1,3-4,7-9,17,33H,2,5-6,10-11H2,(H,27,34)(H,29,30)(H,31,32)(H2,25,26,28)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209453
PNG
((3R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H22BrClFN5O5/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209457
PNG
((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H23BrClN5O7/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209449
PNG
((3S)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H23BrClN5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209462
PNG
((R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-hydro...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H23Cl2N5O6/c23-12-6-15(20(34)16(24)7-12)17(9-19(32)33)29-18(31)10-27-21(35)11-4-13(8-14(30)5-11)28-22-25-2-1-3-26-22/h4-8,17,30,34H,1-3,9-10H2,(H,27,35)(H,29,31)(H,32,33)(H2,25,26,28)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209458
PNG
((beta1R)-3,5-dichloro-b-[[[[3-[(5-hydroxy-1,4,5,6-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H23Cl2N5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209424
PNG
((3R)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H23BrClN5O7/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209445
PNG
((3R)-3-(2-(3-amino-5-(5-fluoro-1,4,5,6-tetrahydrop...)
Show SMILES [#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1
Show InChI InChI=1S/C22H23BrClFN6O5/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)31-18(32)9-27-21(36)10-1-13(26)5-14(2-10)30-22-28-7-12(25)8-29-22/h1-5,12,17,35H,6-9,26H2,(H,27,36)(H,31,32)(H,33,34)(H2,28,29,30)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209436
PNG
((3R)-3-(5-chloro-2-hydroxy-3-iodophenyl)-3-(2-(3-(...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(I)c1-[#8]
Show InChI InChI=1S/C22H22ClFIN5O6/c23-11-3-15(20(35)16(25)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(24)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251932
PNG
(CHEMBL516607 | trans-4-{4-[4-(4-Fluoro-phenyl)-2-m...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:23.25,wD:20.21,(13.12,-40.31,;12.35,-38.97,;10.81,-38.97,;9.9,-40.21,;8.44,-39.73,;8.44,-38.19,;9.91,-37.72,;7.11,-37.41,;7.13,-35.87,;5.8,-35.09,;4.46,-35.85,;3.13,-35.08,;4.45,-37.4,;5.78,-38.17,;7.11,-40.5,;5.77,-39.72,;4.44,-40.49,;4.44,-42.04,;5.78,-42.8,;5.79,-44.35,;7.13,-45.11,;7.12,-46.65,;8.45,-47.42,;9.79,-46.65,;11.12,-47.42,;9.79,-45.11,;8.45,-44.33,;7.11,-42.03,)|
Show InChI InChI=1S/C21H23FN4OS/c1-28-21-25-19(13-2-4-15(22)5-3-13)20(26-21)14-10-11-23-18(12-14)24-16-6-8-17(27)9-7-16/h2-5,10-12,16-17,27H,6-9H2,1H3,(H,23,24)(H,25,26)/t16-,17-
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251993
PNG
(CHEMBL481952 | trans-4-{4-[4-(4-Fluoro-phenyl)-3-(...)
Show SMILES COCCn1c(SC)nc(c1-c1ccnc(N[C@H]2CC[C@H](O)CC2)c1)-c1ccc(F)cc1 |r,wU:17.17,wD:20.21,(29.63,-2.28,;28.09,-2.28,;27.32,-.95,;25.78,-.95,;25.02,.38,;25.93,1.62,;27.47,1.61,;28.24,.28,;25.03,2.87,;23.56,2.4,;23.56,.85,;22.23,.09,;20.9,.86,;19.56,.09,;19.56,-1.45,;20.91,-2.22,;20.91,-3.76,;22.25,-4.52,;23.58,-3.75,;24.93,-4.52,;24.93,-6.07,;26.26,-6.84,;23.59,-6.84,;22.25,-6.05,;22.23,-1.44,;22.24,3.17,;22.25,4.71,;20.92,5.49,;19.58,4.73,;18.25,5.51,;19.58,3.18,;20.91,2.41,)|
Show InChI InChI=1S/C24H29FN4O2S/c1-31-14-13-29-23(22(28-24(29)32-2)16-3-5-18(25)6-4-16)17-11-12-26-21(15-17)27-19-7-9-20(30)10-8-19/h3-6,11-12,15,19-20,30H,7-10,13-14H2,1-2H3,(H,26,27)/t19-,20-
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209474
PNG
((3R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H22BrClFN5O6/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209468
PNG
((3R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-(5-fl...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H22Br2FN5O6/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209466
PNG
((3R)-3-(5-chloro-2-hydroxy-3-iodophenyl)-3-(2-(3-h...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(I)c1-[#8]
Show InChI InChI=1S/C22H23ClIN5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209473
PNG
((R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(1,4,...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Cl)c1-[#8]
Show InChI InChI=1S/C22H23Cl2N5O5/c23-13-8-15(20(33)16(24)9-13)17(10-19(31)32)29-18(30)11-27-21(34)12-3-1-4-14(7-12)28-22-25-5-2-6-26-22/h1,3-4,7-9,17,33H,2,5-6,10-11H2,(H,27,34)(H,29,30)(H,31,32)(H2,25,26,28)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209472
PNG
((R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-(1,4,5...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Br)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H23Br2N5O5/c23-13-8-15(20(33)16(24)9-13)17(10-19(31)32)29-18(30)11-27-21(34)12-3-1-4-14(7-12)28-22-25-5-2-6-26-22/h1,3-4,7-9,17,33H,2,5-6,10-11H2,(H,27,34)(H,29,30)(H,31,32)(H2,25,26,28)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251985
PNG
(4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCOCC2)c1
Show InChI InChI=1S/C20H21FN4OS/c1-27-20-24-18(13-2-4-15(21)5-3-13)19(25-20)14-6-9-22-17(12-14)23-16-7-10-26-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)(H,24,25)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209485
PNG
((3R)-3-(3-bromo-5-chlorophenyl)-3-(2-(3-(5-fluoro-...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1
Show InChI InChI=1S/C22H22BrClFN5O5/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)30-19(32)10-26-21(35)12-3-16(6-17(31)4-12)29-22-27-8-15(25)9-28-22/h1-6,15,18,31H,7-10H2,(H,26,35)(H,30,32)(H,33,34)(H2,27,28,29)/t18-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209451
PNG
((beta1R)-3,5-dibromo-b-[[[[3-[(5-fluoro-1,4,5,6-te...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1)-c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C22H22Br2FN5O5/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)30-19(32)10-26-21(35)12-3-16(6-17(31)4-12)29-22-27-8-15(25)9-28-22/h1-6,15,18,31H,7-10H2,(H,26,35)(H,30,32)(H,33,34)(H2,27,28,29)/t18-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209443
PNG
((R)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-(...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H23BrClN5O5/c23-16-9-13(24)8-15(20(16)33)17(10-19(31)32)29-18(30)11-27-21(34)12-3-1-4-14(7-12)28-22-25-5-2-6-26-22/h1,3-4,7-9,17,33H,2,5-6,10-11H2,(H,27,34)(H,29,30)(H,31,32)(H2,25,26,28)/t17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209467
PNG
((S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-(...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]C(F)(F)[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H21BrClF2N5O6/c23-15-4-11(24)3-14(19(15)36)16(6-18(34)35)31-17(33)7-27-20(37)10-1-12(5-13(32)2-10)30-21-28-8-22(25,26)9-29-21/h1-5,16,32,36H,6-9H2,(H,27,37)(H,31,33)(H,34,35)(H2,28,29,30)/t16-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209440
PNG
((3R)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H23BrClN5O6/c23-16-6-12(24)5-15(20(16)34)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209442
PNG
((R)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-(...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1cc(-[#8])cc(c1)\[#7]=[#6]-1\[#7]-[#6]C(F)(F)[#6]-[#7]-1)-c1cc(Cl)cc(Br)c1-[#8]
Show InChI InChI=1S/C22H21BrClF2N5O6/c23-15-4-11(24)3-14(19(15)36)16(6-18(34)35)31-17(33)7-27-20(37)10-1-12(5-13(32)2-10)30-21-28-8-22(25,26)9-29-21/h1-5,16,32,36H,6-9H2,(H,27,37)(H,31,33)(H,34,35)(H2,28,29,30)/t16-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50251981
PNG
(2-{4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imid...)
Show SMILES CSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC(C)CO)c1
Show InChI InChI=1S/C18H19FN4OS/c1-11(10-24)21-15-9-13(7-8-20-15)17-16(22-18(23-17)25-2)12-3-5-14(19)6-4-12/h3-9,11,24H,10H2,1-2H3,(H,20,21)(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 51: 4122-49 (2008)


Article DOI: 10.1021/jm701529q
BindingDB Entry DOI: 10.7270/Q2W37X67
More data for this
Ligand-Target Pair
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