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Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'wendt' 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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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 5.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor in rat brain

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216746
PNG
(3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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 22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor in rat brain

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50210964
PNG
(3-(2-methylquinolin-7-yl)benzonitrile | CHEMBL2447...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3
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 72n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor in rat brain

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
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))		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))		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))		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))		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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50220087
PNG
(2-(3,5-dichlorophenyl)-7-methylpyrido[2,3-d]pyrimi...)
Show SMILES Cc1ccc2cnc(nc2n1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H9Cl2N3/c1-8-2-3-9-7-17-13(19-14(9)18-8)10-4-11(15)6-12(16)5-10/h2-7H,1H3
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n/an/a 0.720n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Antagonistic activity at rat mGluR5 expressed in CHO cells assessed as inhibition of quisqualate stimulated calcium mobilization by FLIPR technology

Bioorg Med Chem Lett 17: 5396-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.047
BindingDB Entry DOI: 10.7270/Q2JH3KWK
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))		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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216746
PNG
(3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
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))		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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n/an/a 1.10n/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))		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))		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))		BDBM50177617
PNG
(3-(1-phenyl-1H-pyrazol-4-yl)-4-(3-(3-(5,6,7,8-tetr...)
Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C26H28N6O3/c33-25(34)15-19(20-16-28-32(17-20)22-8-2-1-3-9-22)14-24-30-23(31-35-24)10-4-7-21-12-11-18-6-5-13-27-26(18)29-21/h1-3,8-9,11-12,16-17,19H,4-7,10,13-15H2,(H,27,29)(H,33,34)
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n/an/a 1.20n/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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50220096
PNG
(3-methoxy-5-(7-methylpyrido[2,3-d]pyrimidin-2-yl)b...)
Show SMILES COc1cc(cc(c1)-c1ncc2ccc(C)nc2n1)C#N
Show InChI InChI=1S/C16H12N4O/c1-10-3-4-12-9-18-15(20-16(12)19-10)13-5-11(8-17)6-14(7-13)21-2/h3-7,9H,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Antagonistic activity at rat mGluR5 expressed in CHO cells assessed as inhibition of quisqualate stimulated calcium mobilization by FLIPR technology

Bioorg Med Chem Lett 17: 5396-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.047
BindingDB Entry DOI: 10.7270/Q2JH3KWK
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(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 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta5 receptor expressed in HEK293 cell line

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))		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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50178245
PNG
(3-(2-cyclopropylthiazol-5-yl)-4-(2-(3-(5,6,7,8-tet...)
Show SMILES OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1cnc(s1)C1CC1
Show InChI InChI=1S/C24H28N4O2S2/c29-22(30)12-17(20-13-26-24(32-20)16-6-7-16)11-19-14-31-21(27-19)5-1-4-18-9-8-15-3-2-10-25-23(15)28-18/h8-9,13-14,16-17H,1-7,10-12H2,(H,25,28)(H,29,30)
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n/an/a 1.22n/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))		BDBM50178242
PNG
(3-(6-methoxypyridin-3-yl)-4-(2-(3-(5,6,7,8-tetrahy...)
Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1csc(CCCc2ccc3CCCNc3n2)n1
Show InChI InChI=1S/C24H28N4O3S/c1-31-21-10-8-17(14-26-21)18(13-23(29)30)12-20-15-32-22(27-20)6-2-5-19-9-7-16-4-3-11-25-24(16)28-19/h7-10,14-15,18H,2-6,11-13H2,1H3,(H,25,28)(H,29,30)
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n/an/a 1.23n/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))		BDBM50178255
PNG
(3-(6-methoxypyridin-3-yl)-4-(2-(3-(1-methyl-1,2,3,...)
Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1csc(CCCc2ccc3N(C)CCNc3n2)n1
Show InChI InChI=1S/C24H29N5O3S/c1-29-11-10-25-24-20(29)8-7-18(28-24)4-3-5-22-27-19(15-33-22)12-17(13-23(30)31)16-6-9-21(32-2)26-14-16/h6-9,14-15,17H,3-5,10-13H2,1-2H3,(H,25,28)(H,30,31)
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n/an/a 1.24n/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))		BDBM50178247
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(2-(4-(4-(pyrro...)
Show SMILES OC(=O)C[C@H](Cc1csc(CCCCNc2cc(ccn2)N2CCCC2)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H32N4O4S/c32-27(33)15-20(19-6-7-23-24(14-19)35-18-34-23)13-21-17-36-26(30-21)5-1-2-9-28-25-16-22(8-10-29-25)31-11-3-4-12-31/h6-8,10,14,16-17,20H,1-5,9,11-13,15,18H2,(H,28,29)(H,32,33)/t20-/m0/s1
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n/an/a 1.26n/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))		BDBM50177637
PNG
(3-(2-methylthiazol-5-yl)-4-(3-(3-(5,6,7,8-tetrahyd...)
Show SMILES Cc1ncc(s1)C(CC(O)=O)Cc1nc(CCCc2ccc3CCCNc3n2)no1
Show InChI InChI=1S/C21H25N5O3S/c1-13-23-12-17(30-13)15(11-20(27)28)10-19-25-18(26-29-19)6-2-5-16-8-7-14-4-3-9-22-21(14)24-16/h7-8,12,15H,2-6,9-11H2,1H3,(H,22,24)(H,27,28)
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n/an/a 1.28n/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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216762
PNG
(3-chloro-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C17H11ClN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
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 1.43n/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))		BDBM50178248
PNG
(3-(3,5-dimethoxyphenyl)-4-(2-(3-(5,6,7,8-tetrahydr...)
Show SMILES COc1cc(OC)cc(c1)C(CC(O)=O)Cc1csc(CCCc2ccc3CCCNc3n2)n1
Show InChI InChI=1S/C26H31N3O4S/c1-32-22-12-19(13-23(15-22)33-2)18(14-25(30)31)11-21-16-34-24(28-21)7-3-6-20-9-8-17-5-4-10-27-26(17)29-20/h8-9,12-13,15-16,18H,3-7,10-11,14H2,1-2H3,(H,27,29)(H,30,31)
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n/an/a 1.54n/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))		BDBM50178250
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(2-(4-(4-morpho...)
Show SMILES OC(=O)C[C@H](Cc1csc(CCCCNc2cc(ccn2)N2CCOCC2)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H32N4O5S/c32-27(33)15-20(19-4-5-23-24(14-19)36-18-35-23)13-21-17-37-26(30-21)3-1-2-7-28-25-16-22(6-8-29-25)31-9-11-34-12-10-31/h4-6,8,14,16-17,20H,1-3,7,9-13,15,18H2,(H,28,29)(H,32,33)/t20-/m0/s1
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n/an/a 1.56n/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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216758
PNG
(3-methyl-5-(2-methylquinolin-7-yl)benzonitrile | C...)
Show SMILES Cc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C18H14N2/c1-12-7-14(11-19)9-17(8-12)16-6-5-15-4-3-13(2)20-18(15)10-16/h3-10H,1-2H3
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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
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
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 1.60n/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))		BDBM50178257
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(2-(4-(4-thiomo...)
Show SMILES OC(=O)C[C@H](Cc1csc(CCCCNc2cc(ccn2)N2CCSCC2)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H32N4O4S2/c32-27(33)15-20(19-4-5-23-24(14-19)35-18-34-23)13-21-17-37-26(30-21)3-1-2-7-28-25-16-22(6-8-29-25)31-9-11-36-12-10-31/h4-6,8,14,16-17,20H,1-3,7,9-13,15,18H2,(H,28,29)(H,32,33)/t20-/m0/s1
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n/an/a 1.70n/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-5


(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 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta5 receptor expressed in HEK293 cell line

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))		BDBM50177639
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(1-methyl-1,2...)
Show SMILES CN1CCNc2nc(CCCc3noc(CC(CC(O)=O)c4ccc5OCOc5c4)n3)ccc12
Show InChI InChI=1S/C24H27N5O5/c1-29-10-9-25-24-18(29)7-6-17(26-24)3-2-4-21-27-22(34-28-21)12-16(13-23(30)31)15-5-8-19-20(11-15)33-14-32-19/h5-8,11,16H,2-4,9-10,12-14H2,1H3,(H,25,26)(H,30,31)
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n/an/a 1.70n/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))		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 1.75n/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))		BDBM50178240
PNG
(3-(2-phenylthiazol-5-yl)-4-(2-(3-(5,6,7,8-tetrahyd...)
Show SMILES OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1cnc(s1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O2S2/c32-25(33)15-20(23-16-29-27(35-23)19-6-2-1-3-7-19)14-22-17-34-24(30-22)10-4-9-21-12-11-18-8-5-13-28-26(18)31-21/h1-3,6-7,11-12,16-17,20H,4-5,8-10,13-15H2,(H,28,31)(H,32,33)
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n/an/a 1.77n/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))		BDBM50177634
PNG
(3-phenyl-4-(3-(3-(5,6,7,8-tetrahydro-1,8-naphthyri...)
Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccccc1
Show InChI InChI=1S/C23H26N4O3/c28-22(29)15-18(16-6-2-1-3-7-16)14-21-26-20(27-30-21)10-4-9-19-12-11-17-8-5-13-24-23(17)25-19/h1-3,6-7,11-12,18H,4-5,8-10,13-15H2,(H,24,25)(H,28,29)
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n/an/a 1.80n/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))		BDBM50177632
PNG
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-methyl...)
Show SMILES Cc1ccnc(NCCCCc2noc(C[C@@H](CC(O)=O)c3ccc4OCOc4c3)n2)c1
Show InChI InChI=1S/C23H26N4O5/c1-15-7-9-25-21(10-15)24-8-3-2-4-20-26-22(32-27-20)12-17(13-23(28)29)16-5-6-18-19(11-16)31-14-30-18/h5-7,9-11,17H,2-4,8,12-14H2,1H3,(H,24,25)(H,28,29)/t17-/m0/s1
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n/an/a 2n/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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216750
PNG
(5-(2-methylquinolin-7-yl)isophthalonitrile | CHEMB...)
Show SMILES Cc1ccc2ccc(cc2n1)-c1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C18H11N3/c1-12-2-3-15-4-5-16(9-18(15)21-12)17-7-13(10-19)6-14(8-17)11-20/h2-9H,1H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50216749
PNG
(3-(methoxymethyl)-5-(2-methylquinolin-7-yl)benzoni...)
Show SMILES COCc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
Show InChI InChI=1S/C19H16N2O/c1-13-3-4-16-5-6-17(10-19(16)21-13)18-8-14(11-20)7-15(9-18)12-22-2/h3-10H,12H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 17: 4415-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.030
BindingDB Entry DOI: 10.7270/Q28G8KDC
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50178238
PNG
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(2-(3-(5,6,7,...)
Show SMILES OC(=O)CC(Cc1csc(CCCc2ccc3CCCNc3n2)n1)c1cnc(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN4O2S2/c28-20-9-6-18(7-10-20)27-30-15-23(36-27)19(14-25(33)34)13-22-16-35-24(31-22)5-1-4-21-11-8-17-3-2-12-29-26(17)32-21/h6-11,15-16,19H,1-5,12-14H2,(H,29,32)(H,33,34)
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n/an/a 2.09n/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))		BDBM50177630
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(6-(methylami...)
Show SMILES CNc1cccc(CCCc2noc(CC(CC(O)=O)c3ccc4OCOc4c3)n2)n1
Show InChI InChI=1S/C22H24N4O5/c1-23-19-6-2-4-16(24-19)5-3-7-20-25-21(31-26-20)11-15(12-22(27)28)14-8-9-17-18(10-14)30-13-29-17/h2,4,6,8-10,15H,3,5,7,11-13H2,1H3,(H,23,24)(H,27,28)
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n/an/a 2.10n/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))		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 2.10n/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
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