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Compile Data Set for Download or QSAR

Found 285 hits with Last Name = 'klover' and Initial = 'ja'   
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))
BDBM50185450
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)
Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)
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n/an/a 0.210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177621
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)
Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H31N5O5S/c32-26(33)15-19(18-4-5-21-22(13-18)35-17-34-21)14-25-29-23(30-36-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-37-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177626
PNG
(3-(benzo[d]oxazol-6-yl)-4-(3-(3-(5,6,7,8-tetrahydr...)
Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2ncoc2c1
Show InChI InChI=1S/C24H25N5O4/c30-23(31)13-17(16-7-9-19-20(11-16)32-14-26-19)12-22-28-21(29-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)27-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,25,27)(H,30,31)
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n/an/a 0.320n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185464
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H25N3O6/c28-23(29)12-17(16-4-6-20-21(11-16)32-14-31-20)10-19-13-22(27-33-19)30-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,28,29)
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n/an/a 0.340n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209124
PNG
((2,2-dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...)
Show SMILES CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3|
Show InChI InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209124
PNG
((2,2-dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...)
Show SMILES CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3|
Show InChI InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209124
PNG
((2,2-dimethyl-3-{4-[2-(5,6,7,8-tetrahydro-1,8-naph...)
Show SMILES CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3|
Show InChI InChI=1S/C23H28N2O3/c1-23(2)19(14-20(26)27)21(23)15-6-9-18(10-7-15)28-13-11-17-8-5-16-4-3-12-24-22(16)25-17/h5-10,19,21H,3-4,11-14H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177628
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(5,6,7,8-...)
Show SMILES OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H26N4O5/c29-23(30)13-17(16-7-9-19-20(11-16)32-14-31-19)12-22-27-21(28-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)26-18/h6-9,11,17H,1-5,10,12-14H2,(H,25,26)(H,29,30)/t17-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185466
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-...)
Show SMILES Cn1nc(C[C@@H](CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)/t18-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209131
PNG
(4-[3-(2-N-pyridyl)amino]-1-propyloxyphenyl-3-(3-py...)
Show SMILES OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 |w:4.4|
Show InChI InChI=1S/C23H25N3O3/c27-23(28)16-20(19-5-3-11-24-17-19)15-18-7-9-21(10-8-18)29-14-4-13-26-22-6-1-2-12-25-22/h1-3,5-12,17,20H,4,13-16H2,(H,25,26)(H,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177626
PNG
(3-(benzo[d]oxazol-6-yl)-4-(3-(3-(5,6,7,8-tetrahydr...)
Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2ncoc2c1
Show InChI InChI=1S/C24H25N5O4/c30-23(31)13-17(16-7-9-19-20(11-16)32-14-26-19)12-22-28-21(29-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)27-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,25,27)(H,30,31)
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209132
PNG
((2-{3-fluoro-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyr...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1 |w:6.7,4.3|
Show InChI InChI=1S/C21H23FN2O3/c22-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-23-21(13)24-16/h3-6,11,15,17H,1-2,7-10,12H2,(H,23,24)(H,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185459
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(4,5-dihydro-...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6](-[#6]-c1cc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)no1)-c1ccc2-[#8]-[#6]-[#8]-c2c1
Show InChI InChI=1S/C20H24N4O6/c25-19(26)10-14(13-2-3-16-17(9-13)29-12-28-16)8-15-11-18(24-30-15)27-7-1-4-21-20-22-5-6-23-20/h2-3,9,11,14H,1,4-8,10,12H2,(H,25,26)(H2,21,22,23)
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n/an/a 0.580n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177629
PNG
(3-(2-cyclopropylthiazol-5-yl)-4-(3-(3-(5,6,7,8-tet...)
Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc(s1)C1CC1
Show InChI InChI=1S/C23H27N5O3S/c29-21(30)12-16(18-13-25-23(32-18)15-6-7-15)11-20-27-19(28-31-20)5-1-4-17-9-8-14-3-2-10-24-22(14)26-17/h8-9,13,15-16H,1-7,10-12H2,(H,24,26)(H,29,30)
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:6.7,4.3|
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209121
PNG
((2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:6.7,4.3|
Show InChI InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)14-4-7-18(8-5-14)26-11-9-17-6-3-15-2-1-10-22-21(15)23-17/h3-8,16,19H,1-2,9-13H2,(H,22,23)(H,24,25)
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185460
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(carboxymethyl)-...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(O)=O)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H28N4O7/c31-24(32)12-18(17-4-6-21-22(11-17)37-15-36-21)10-20-13-23(30(29-20)14-25(33)34)35-9-7-19-5-3-16-2-1-8-27-26(16)28-19/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,27,28)(H,31,32)(H,33,34)
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50178254
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(2-(3-(1-methyl-1,2...)
Show SMILES CN1CCNc2nc(CCCc3nc(CC(CC(O)=O)c4ccc5OCOc5c4)cs3)ccc12
Show InChI InChI=1S/C25H28N4O4S/c1-29-10-9-26-25-20(29)7-6-18(28-25)3-2-4-23-27-19(14-34-23)11-17(13-24(30)31)16-5-8-21-22(12-16)33-15-32-21/h5-8,12,14,17H,2-4,9-11,13,15H2,1H3,(H,26,28)(H,30,31)
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n/an/a 0.610n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphaV Beta3 receptor by solid-phase receptor binding assay


Bioorg Med Chem Lett 16: 845-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.017
BindingDB Entry DOI: 10.7270/Q2PN956J
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177621
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)
Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H31N5O5S/c32-26(33)15-19(18-4-5-21-22(13-18)35-17-34-21)14-25-29-23(30-36-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-37-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177618
PNG
(3-(2,3-dihydrobenzofuran-6-yl)-4-(3-(3-(5,6,7,8-te...)
Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2CCOc2c1
Show InChI InChI=1S/C25H28N4O4/c30-24(31)15-19(18-7-6-16-10-12-32-21(16)13-18)14-23-28-22(29-33-23)5-1-4-20-9-8-17-3-2-11-26-25(17)27-20/h6-9,13,19H,1-5,10-12,14-15H2,(H,26,27)(H,30,31)
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n/an/a 0.630n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177636
PNG
(3-(quinolin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-...)
Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H27N5O3/c32-25(33)15-19(20-13-18-5-1-2-8-22(18)28-16-20)14-24-30-23(31-34-24)9-3-7-21-11-10-17-6-4-12-27-26(17)29-21/h1-2,5,8,10-11,13,16,19H,3-4,6-7,9,12,14-15H2,(H,27,29)(H,32,33)
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n/an/a 0.650n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177628
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(5,6,7,8-...)
Show SMILES OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H26N4O5/c29-23(30)13-17(16-7-9-19-20(11-16)32-14-31-19)12-22-27-21(28-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)26-18/h6-9,11,17H,1-5,10,12-14H2,(H,25,26)(H,29,30)/t17-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185469
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(1-methyl-1,2...)
Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)on3)ccc12
Show InChI InChI=1S/C24H26N4O6/c1-28-8-7-25-24-19(28)4-3-17(26-24)6-9-31-22-13-18(34-27-22)10-16(12-23(29)30)15-2-5-20-21(11-15)33-14-32-20/h2-5,11,13,16H,6-10,12,14H2,1H3,(H,25,26)(H,29,30)
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n/an/a 0.690n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185452
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n[nH]1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H26N4O5/c29-23(30)12-17(16-4-6-20-21(11-16)33-14-32-20)10-19-13-22(28-27-19)31-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,27,28)(H,29,30)
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n/an/a 0.710n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177616
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-morpho...)
Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCOCC2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H31N5O6/c32-26(33)15-19(18-4-5-21-22(13-18)36-17-35-21)14-25-29-23(30-37-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-34-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1
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n/an/a 0.740n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185468
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1-m...)
Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)nn3C)ccc12
Show InChI InChI=1S/C25H29N5O5/c1-29-9-8-26-25-20(29)5-4-18(27-25)7-10-33-23-14-19(28-30(23)2)11-17(13-24(31)32)16-3-6-21-22(12-16)35-15-34-21/h3-6,12,14,17H,7-11,13,15H2,1-2H3,(H,26,27)(H,31,32)
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50185450
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)
Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)
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n/an/a 0.770n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta5 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177622
PNG
(3-(pyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-n...)
Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccnc1
Show InChI InChI=1S/C22H25N5O3/c28-21(29)13-17(16-5-2-10-23-14-16)12-20-26-19(27-30-20)7-1-6-18-9-8-15-4-3-11-24-22(15)25-18/h2,5,8-10,14,17H,1,3-4,6-7,11-13H2,(H,24,25)(H,28,29)
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n/an/a 0.770n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177616
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-morpho...)
Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCOCC2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H31N5O6/c32-26(33)15-19(18-4-5-21-22(13-18)36-17-35-21)14-25-29-23(30-37-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-34-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1
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n/an/a 0.780n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185462
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)
Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1SCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C25H28N4O4S/c1-29-23(34-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)33-15-32-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185455
PNG
(3-(6-methoxypyridin-3-yl)-4-(1-methyl-5-(2-(5,6,7,...)
Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)n(C)n1
Show InChI InChI=1S/C24H29N5O4/c1-29-22(33-11-9-19-7-5-16-4-3-10-25-24(16)27-19)14-20(28-29)12-18(13-23(30)31)17-6-8-21(32-2)26-15-17/h5-8,14-15,18H,3-4,9-13H2,1-2H3,(H,25,27)(H,30,31)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185465
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1,2...)
Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2NCCNc2n1
Show InChI InChI=1S/C24H27N5O5/c1-29-22(32-9-6-17-3-4-19-24(27-17)26-8-7-25-19)13-18(28-29)10-16(12-23(30)31)15-2-5-20-21(11-15)34-14-33-20/h2-5,11,13,16,25H,6-10,12,14H2,1H3,(H,26,27)(H,30,31)
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n/an/a 0.830n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185457
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-benzyl-5-(2-(5,6...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(Cc2ccccc2)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H32N4O5/c36-30(37)17-24(23-9-11-27-28(16-23)40-20-39-27)15-26-18-29(35(34-26)19-21-5-2-1-3-6-21)38-14-12-25-10-8-22-7-4-13-32-31(22)33-25/h1-3,5-6,8-11,16,18,24H,4,7,12-15,17,19-20H2,(H,32,33)(H,36,37)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185454
PNG
(3-(6-methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahy...)
Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)no1
Show InChI InChI=1S/C23H26N4O5/c1-30-20-7-5-16(14-25-20)17(12-22(28)29)11-19-13-21(27-32-19)31-10-8-18-6-4-15-3-2-9-24-23(15)26-18/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,24,26)(H,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209120
PNG
((2-{3-hydroxy-4-[2-(5,6,7,8-tetrahydro-1,8-naphthy...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(O)c1 |w:6.7,4.3|
Show InChI InChI=1S/C21H24N2O4/c24-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-22-21(13)23-16/h3-6,11,15,17,24H,1-2,7-10,12H2,(H,22,23)(H,25,26)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185459
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(4,5-dihydro-...)
Show SMILES [#8]-[#6](=O)-[#6]-[#6](-[#6]-c1cc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)no1)-c1ccc2-[#8]-[#6]-[#8]-c2c1
Show InChI InChI=1S/C20H24N4O6/c25-19(26)10-14(13-2-3-16-17(9-13)29-12-28-16)8-15-11-18(24-30-15)27-7-1-4-21-20-22-5-6-23-20/h2-3,9,11,14H,1,4-8,10,12H2,(H,25,26)(H2,21,22,23)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185453
PNG
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(1-methyl-5-(...)
Show SMILES Cn1nc(CC(CC(O)=O)c2cnc(s2)-c2ccc(Cl)cc2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C27H28ClN5O3S/c1-33-24(36-12-10-21-9-6-17-3-2-11-29-26(17)31-21)15-22(32-33)13-19(14-25(34)35)23-16-30-27(37-23)18-4-7-20(28)8-5-18/h4-9,15-16,19H,2-3,10-14H2,1H3,(H,29,31)(H,34,35)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185464
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H25N3O6/c28-23(29)12-17(16-4-6-20-21(11-16)32-14-31-20)10-19-13-22(27-33-19)30-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,28,29)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185471
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(2-hydroxyethyl)...)
Show SMILES OCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C26H30N4O6/c31-10-9-30-24(34-11-7-20-5-3-17-2-1-8-27-26(17)28-20)15-21(29-30)12-19(14-25(32)33)18-4-6-22-23(13-18)36-16-35-22/h3-6,13,15,19,31H,1-2,7-12,14,16H2,(H,27,28)(H,32,33)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177640
PNG
(3-(6-methoxypyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahy...)
Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1nc(CCCc2ccc3CCCNc3n2)no1
Show InChI InChI=1S/C23H27N5O4/c1-31-20-10-8-16(14-25-20)17(13-22(29)30)12-21-27-19(28-32-21)6-2-5-18-9-7-15-4-3-11-24-23(15)26-18/h7-10,14,17H,2-6,11-13H2,1H3,(H,24,26)(H,29,30)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50209120
PNG
((2-{3-hydroxy-4-[2-(5,6,7,8-tetrahydro-1,8-naphthy...)
Show SMILES OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(O)c1 |w:6.7,4.3|
Show InChI InChI=1S/C21H24N2O4/c24-18-11-14(17-10-15(17)12-20(25)26)4-6-19(18)27-9-7-16-5-3-13-2-1-8-22-21(13)23-16/h3-6,11,15,17,24H,1-2,7-10,12H2,(H,22,23)(H,25,26)
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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 human intergrin alphavbeta3 receptor by solid phase receptor assay


Bioorg Med Chem 15: 3390-412 (2007)


Article DOI: 10.1016/j.bmc.2007.03.020
BindingDB Entry DOI: 10.7270/Q2057FK0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50185470
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H27F3N4O5/c27-26(28,29)14-33-23(36-9-7-19-5-3-16-2-1-8-30-25(16)31-19)13-20(32-33)10-18(12-24(34)35)17-4-6-21-22(11-17)38-15-37-21/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,30,31)(H,34,35)
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n/an/a 1.03n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta5 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185470
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H27F3N4O5/c27-26(28,29)14-33-23(36-9-7-19-5-3-16-2-1-8-30-25(16)31-19)13-20(32-33)10-18(12-24(34)35)17-4-6-21-22(11-17)38-15-37-21/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,30,31)(H,34,35)
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n/an/a 1.09n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185472
PNG
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(3-(2-(5,6,7,...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1cnc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H25ClN4O4S/c27-19-6-3-17(4-7-19)26-29-15-22(36-26)18(13-24(32)33)12-21-14-23(31-35-21)34-11-9-20-8-5-16-2-1-10-28-25(16)30-20/h3-8,14-15,18H,1-2,9-13H2,(H,28,30)(H,32,33)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185450
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)
Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin by SPRA


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177624
PNG
(3-(3-fluorophenyl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8...)
Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccc(F)c1
Show InChI InChI=1S/C23H25FN4O3/c24-18-6-1-4-16(12-18)17(14-22(29)30)13-21-27-20(28-31-21)8-2-7-19-10-9-15-5-3-11-25-23(15)26-19/h1,4,6,9-10,12,17H,2-3,5,7-8,11,13-14H2,(H,25,26)(H,29,30)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50177627
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-methox...)
Show SMILES COc1ccnc(NCCCCc2noc(C[C@@H](CC(O)=O)c3ccc4OCOc4c3)n2)c1
Show InChI InChI=1S/C23H26N4O6/c1-30-17-7-9-25-21(13-17)24-8-3-2-4-20-26-22(33-27-20)11-16(12-23(28)29)15-5-6-18-19(10-15)32-14-31-18/h5-7,9-10,13,16H,2-4,8,11-12,14H2,1H3,(H,24,25)(H,28,29)/t16-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta3 receptor by SPRA assay


Bioorg Med Chem Lett 16: 839-44 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.008
BindingDB Entry DOI: 10.7270/Q28K78NF
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50178253
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(2-(3-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H27N3O4S/c29-24(30)13-18(17-7-9-21-22(12-17)32-15-31-21)11-20-14-33-23(27-20)5-1-4-19-8-6-16-3-2-10-26-25(16)28-19/h6-9,12,14,18H,1-5,10-11,13,15H2,(H,26,28)(H,29,30)
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n/an/a 1.18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphaV Beta3 receptor by solid-phase receptor binding assay


Bioorg Med Chem Lett 16: 845-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.017
BindingDB Entry DOI: 10.7270/Q2PN956J
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50185463
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-phenyl-5-(2-(5,6...)
Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(n1)-c1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H30N4O5/c35-29(36)17-22(21-9-11-26-27(16-21)39-19-38-26)15-24-18-28(34(33-24)25-6-2-1-3-7-25)37-14-12-23-10-8-20-5-4-13-31-30(20)32-23/h1-3,6-11,16,18,22H,4-5,12-15,17,19H2,(H,31,32)(H,35,36)
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n/an/a 1.18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta3 integrin in 293 cells


Bioorg Med Chem Lett 16: 3156-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50178243
PNG
(3-(2-(methoxymethyl)thiazol-5-yl)-4-(2-(3-(5,6,7,8...)
Show SMILES COCc1ncc(s1)C(CC(O)=O)Cc1csc(CCCc2ccc3CCCNc3n2)n1
Show InChI InChI=1S/C23H28N4O3S2/c1-30-13-21-25-12-19(32-21)16(11-22(28)29)10-18-14-31-20(26-18)6-2-5-17-8-7-15-4-3-9-24-23(15)27-17/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,24,27)(H,28,29)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphaV Beta3 receptor by solid-phase receptor binding assay


Bioorg Med Chem Lett 16: 845-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.017
BindingDB Entry DOI: 10.7270/Q2PN956J
More data for this
Ligand-Target Pair
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