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Found 131 hits Enz. Inhib. hit(s) with Target = 'Fibronectin receptor beta/Vitronectin receptor alpha' AND taxid = 9606   
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
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50078714
PNG
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)
Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for integrin alpha V beta 5 receptor


Bioorg Med Chem Lett 9: 1807-12 (1999)


Article DOI: 10.1016/s0960-894x(99)00283-8
BindingDB Entry DOI: 10.7270/Q2Q23ZFC
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199337
PNG
(CHEMBL3962660)
Show SMILES NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C25H32N6O6S/c26-25(27)28-14-4-9-22(32)29-18-12-10-17(11-13-18)16-20(24(34)35)30-23(33)21-8-5-15-31(21)38(36,37)19-6-2-1-3-7-19/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2,(H,29,32)(H,30,33)(H,34,35)(H4,26,27,28)/t20-,21-/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199337
PNG
(CHEMBL3962660)
Show SMILES NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C25H32N6O6S/c26-25(27)28-14-4-9-22(32)29-18-12-10-17(11-13-18)16-20(24(34)35)30-23(33)21-8-5-15-31(21)38(36,37)19-6-2-1-3-7-19/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2,(H,29,32)(H,30,33)(H,34,35)(H4,26,27,28)/t20-,21-/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199345
PNG
(CHEMBL3893700)
Show SMILES NC(=N)Nc1cccc(c1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C28H30N6O6S/c29-28(30)32-21-7-4-6-19(17-21)25(35)31-20-13-11-18(12-14-20)16-23(27(37)38)33-26(36)24-10-5-15-34(24)41(39,40)22-8-2-1-3-9-22/h1-4,6-9,11-14,17,23-24H,5,10,15-16H2,(H,31,35)(H,33,36)(H,37,38)(H4,29,30,32)/t23-,24-/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199345
PNG
(CHEMBL3893700)
Show SMILES NC(=N)Nc1cccc(c1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C28H30N6O6S/c29-28(30)32-21-7-4-6-19(17-21)25(35)31-20-13-11-18(12-14-20)16-23(27(37)38)33-26(36)24-10-5-15-34(24)41(39,40)22-8-2-1-3-9-22/h1-4,6-9,11-14,17,23-24H,5,10,15-16H2,(H,31,35)(H,33,36)(H,37,38)(H4,29,30,32)/t23-,24-/m0/s1
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n/an/a 0.0631n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199411
PNG
(CHEMBL3951678)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCNC2=NCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H34N6O6S/c34-24(9-4-14-28-27-29-15-16-30-27)31-20-12-10-19(11-13-20)18-22(26(36)37)32-25(35)23-8-5-17-33(23)40(38,39)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,31,34)(H,32,35)(H,36,37)(H2,28,29,30)/t22-,23-/m0/s1
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n/an/a 0.126n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199411
PNG
(CHEMBL3951678)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCNC2=NCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H34N6O6S/c34-24(9-4-14-28-27-29-15-16-30-27)31-20-12-10-19(11-13-20)18-22(26(36)37)32-25(35)23-8-5-17-33(23)40(38,39)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,31,34)(H,32,35)(H,36,37)(H2,28,29,30)/t22-,23-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199196
PNG
(CHEMBL3905970)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCNc2ccccn2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33N5O6S/c35-27(12-6-18-31-26-11-4-5-17-30-26)32-22-15-13-21(14-16-22)20-24(29(37)38)33-28(36)25-10-7-19-34(25)41(39,40)23-8-2-1-3-9-23/h1-5,8-9,11,13-17,24-25H,6-7,10,12,18-20H2,(H,30,31)(H,32,35)(H,33,36)(H,37,38)/t24-,25-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199196
PNG
(CHEMBL3905970)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCNc2ccccn2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33N5O6S/c35-27(12-6-18-31-26-11-4-5-17-30-26)32-22-15-13-21(14-16-22)20-24(29(37)38)33-28(36)25-10-7-19-34(25)41(39,40)23-8-2-1-3-9-23/h1-5,8-9,11,13-17,24-25H,6-7,10,12,18-20H2,(H,30,31)(H,32,35)(H,33,36)(H,37,38)/t24-,25-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199399
PNG
(CHEMBL3909977)
Show SMILES NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34N6O6S/c27-26(28)29-15-6-10-23(33)30-19-13-11-18(12-14-19)17-21(25(35)36)31-24(34)22-9-4-5-16-32(22)39(37,38)20-7-2-1-3-8-20/h1-3,7-8,11-14,21-22H,4-6,9-10,15-17H2,(H,30,33)(H,31,34)(H,35,36)(H4,27,28,29)/t21-,22-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199399
PNG
(CHEMBL3909977)
Show SMILES NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34N6O6S/c27-26(28)29-15-6-10-23(33)30-19-13-11-18(12-14-19)17-21(25(35)36)31-24(34)22-9-4-5-16-32(22)39(37,38)20-7-2-1-3-8-20/h1-3,7-8,11-14,21-22H,4-6,9-10,15-17H2,(H,30,33)(H,31,34)(H,35,36)(H4,27,28,29)/t21-,22-/m0/s1
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n/an/a 0.251n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199197
PNG
(CHEMBL3923968)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNC2=NCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H36N6O6S/c35-25(10-4-5-15-29-28-30-16-17-31-28)32-21-13-11-20(12-14-21)19-23(27(37)38)33-26(36)24-9-6-18-34(24)41(39,40)22-7-2-1-3-8-22/h1-3,7-8,11-14,23-24H,4-6,9-10,15-19H2,(H,32,35)(H,33,36)(H,37,38)(H2,29,30,31)/t23-,24-/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199398
PNG
(CHEMBL3952235)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H36N6O6S/c28-27(29)30-16-6-4-11-24(34)31-20-14-12-19(13-15-20)18-22(26(36)37)32-25(35)23-10-5-7-17-33(23)40(38,39)21-8-2-1-3-9-21/h1-3,8-9,12-15,22-23H,4-7,10-11,16-18H2,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t22-,23-/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199197
PNG
(CHEMBL3923968)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNC2=NCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H36N6O6S/c35-25(10-4-5-15-29-28-30-16-17-31-28)32-21-13-11-20(12-14-21)19-23(27(37)38)33-26(36)24-9-6-18-34(24)41(39,40)22-7-2-1-3-8-22/h1-3,7-8,11-14,23-24H,4-6,9-10,15-19H2,(H,32,35)(H,33,36)(H,37,38)(H2,29,30,31)/t23-,24-/m0/s1
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n/an/a 0.316n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199398
PNG
(CHEMBL3952235)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H36N6O6S/c28-27(29)30-16-6-4-11-24(34)31-20-14-12-19(13-15-20)18-22(26(36)37)32-25(35)23-10-5-7-17-33(23)40(38,39)21-8-2-1-3-9-21/h1-3,8-9,12-15,22-23H,4-7,10-11,16-18H2,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t22-,23-/m0/s1
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n/an/a 0.316n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141334
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-isopropo...)
Show SMILES CC(C)OC(=O)NC(Cc1ccc(NC(=O)c2cccc(c2)N=C(N)N)cc1)C(O)=O
Show InChI InChI=1S/C21H25N5O5/c1-12(2)31-21(30)26-17(19(28)29)10-13-6-8-15(9-7-13)24-18(27)14-4-3-5-16(11-14)25-20(22)23/h3-9,11-12,17H,10H2,1-2H3,(H,24,27)(H,26,30)(H,28,29)(H4,22,23,25)
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n/an/a 0.470n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199335
PNG
(CHEMBL3899812)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H](F)CN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C26H33FN6O6S/c27-18-15-22(33(16-18)40(38,39)20-6-2-1-3-7-20)24(35)32-21(25(36)37)14-17-9-11-19(12-10-17)31-23(34)8-4-5-13-30-26(28)29/h1-3,6-7,9-12,18,21-22H,4-5,8,13-16H2,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t18-,21-,22-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199338
PNG
(CHEMBL3932911)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C26H33FN6O6S/c27-18-15-22(33(16-18)40(38,39)20-6-2-1-3-7-20)24(35)32-21(25(36)37)14-17-9-11-19(12-10-17)31-23(34)8-4-5-13-30-26(28)29/h1-3,6-7,9-12,18,21-22H,4-5,8,13-16H2,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t18-,21+,22+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199338
PNG
(CHEMBL3932911)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C26H33FN6O6S/c27-18-15-22(33(16-18)40(38,39)20-6-2-1-3-7-20)24(35)32-21(25(36)37)14-17-9-11-19(12-10-17)31-23(34)8-4-5-13-30-26(28)29/h1-3,6-7,9-12,18,21-22H,4-5,8,13-16H2,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t18-,21+,22+/m1/s1
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n/an/a 0.501n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199335
PNG
(CHEMBL3899812)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H](F)CN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C26H33FN6O6S/c27-18-15-22(33(16-18)40(38,39)20-6-2-1-3-7-20)24(35)32-21(25(36)37)14-17-9-11-19(12-10-17)31-23(34)8-4-5-13-30-26(28)29/h1-3,6-7,9-12,18,21-22H,4-5,8,13-16H2,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t18-,21-,22-/m0/s1
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n/an/a 0.501n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199195
PNG
(CHEMBL3892042)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34N6O6S/c27-26(28)29-15-5-4-10-23(33)30-19-13-11-18(12-14-19)17-21(25(35)36)31-24(34)22-9-6-16-32(22)39(37,38)20-7-2-1-3-8-20/h1-3,7-8,11-14,21-22H,4-6,9-10,15-17H2,(H,30,33)(H,31,34)(H,35,36)(H4,27,28,29)/t21-,22-/m0/s1
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n/an/a 0.630n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199195
PNG
(CHEMBL3892042)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34N6O6S/c27-26(28)29-15-5-4-10-23(33)30-19-13-11-18(12-14-19)17-21(25(35)36)31-24(34)22-9-6-16-32(22)39(37,38)20-7-2-1-3-8-20/h1-3,7-8,11-14,21-22H,4-6,9-10,15-17H2,(H,30,33)(H,31,34)(H,35,36)(H4,27,28,29)/t21-,22-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141324
PNG
(2-Isopropoxycarbonylamino-3-{2-methoxy-4-[3-(1,4,5...)
Show SMILES COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CC(NC(=O)OC(C)C)C(O)=O
Show InChI InChI=1S/C25H31N5O6/c1-15(2)36-25(34)30-20(23(32)33)13-16-8-9-19(14-21(16)35-3)28-22(31)17-6-4-7-18(12-17)29-24-26-10-5-11-27-24/h4,6-9,12,14-15,20H,5,10-11,13H2,1-3H3,(H,28,31)(H,30,34)(H,32,33)(H2,26,27,29)
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n/an/a 0.680n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141355
PNG
(3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...)
Show SMILES COc1cc(NC(=O)c2cccc(c2)N=C(N)N)ccc1CC(NC(=O)OC(C)C)C(O)=O
Show InChI InChI=1S/C22H27N5O6/c1-12(2)33-22(31)27-17(20(29)30)10-13-7-8-16(11-18(13)32-3)25-19(28)14-5-4-6-15(9-14)26-21(23)24/h4-9,11-12,17H,10H2,1-3H3,(H,25,28)(H,27,31)(H,29,30)(H4,23,24,26)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199333
PNG
(CHEMBL3942926)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNc2ccccn2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O6S/c36-28(13-5-7-19-32-27-12-4-6-18-31-27)33-23-16-14-22(15-17-23)21-25(30(38)39)34-29(37)26-11-8-20-35(26)42(40,41)24-9-2-1-3-10-24/h1-4,6,9-10,12,14-18,25-26H,5,7-8,11,13,19-21H2,(H,31,32)(H,33,36)(H,34,37)(H,38,39)/t25-,26-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199407
PNG
(CHEMBL3902668)
Show SMILES NC(=N)N[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C28H36N6O6S/c29-28(30)32-21-14-10-19(11-15-21)25(35)31-20-12-8-18(9-13-20)17-23(27(37)38)33-26(36)24-7-4-16-34(24)41(39,40)22-5-2-1-3-6-22/h1-3,5-6,8-9,12-13,19,21,23-24H,4,7,10-11,14-17H2,(H,31,35)(H,33,36)(H,37,38)(H4,29,30,32)/t19-,21+,23-,24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199333
PNG
(CHEMBL3942926)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNc2ccccn2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O6S/c36-28(13-5-7-19-32-27-12-4-6-18-31-27)33-23-16-14-22(15-17-23)21-25(30(38)39)34-29(37)26-11-8-20-35(26)42(40,41)24-9-2-1-3-10-24/h1-4,6,9-10,12,14-18,25-26H,5,7-8,11,13,19-21H2,(H,31,32)(H,33,36)(H,34,37)(H,38,39)/t25-,26-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199407
PNG
(CHEMBL3902668)
Show SMILES NC(=N)N[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C28H36N6O6S/c29-28(30)32-21-14-10-19(11-15-21)25(35)31-20-12-8-18(9-13-20)17-23(27(37)38)33-26(36)24-7-4-16-34(24)41(39,40)22-5-2-1-3-6-22/h1-3,5-6,8-9,12-13,19,21,23-24H,4,7,10-11,14-17H2,(H,31,35)(H,33,36)(H,37,38)(H4,29,30,32)/t19-,21+,23-,24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199339
PNG
(CHEMBL3914945)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNC2=NCCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H38N6O6S/c36-26(11-4-5-16-30-29-31-17-7-18-32-29)33-22-14-12-21(13-15-22)20-24(28(38)39)34-27(37)25-10-6-19-35(25)42(40,41)23-8-2-1-3-9-23/h1-3,8-9,12-15,24-25H,4-7,10-11,16-20H2,(H,33,36)(H,34,37)(H,38,39)(H2,30,31,32)/t24-,25-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199339
PNG
(CHEMBL3914945)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNC2=NCCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H38N6O6S/c36-26(11-4-5-16-30-29-31-17-7-18-32-29)33-22-14-12-21(13-15-22)20-24(28(38)39)34-27(37)25-10-6-19-35(25)42(40,41)23-8-2-1-3-9-23/h1-3,8-9,12-15,24-25H,4-7,10-11,16-20H2,(H,33,36)(H,34,37)(H,38,39)(H2,30,31,32)/t24-,25-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(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 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta1 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
Fibronectin receptor beta/Vitronectin receptor alpha


(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 2.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta1 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
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141339
PNG
(2-(3-tert-Butyl-ureido)-3-[4-(3-guanidino-benzoyla...)
Show SMILES CC(C)(C)NC(=O)NC(Cc1ccc(NC(=O)c2cccc(c2)N=C(N)N)cc1)C(O)=O
Show InChI InChI=1S/C22H28N6O4/c1-22(2,3)28-21(32)27-17(19(30)31)11-13-7-9-15(10-8-13)25-18(29)14-5-4-6-16(12-14)26-20(23)24/h4-10,12,17H,11H2,1-3H3,(H,25,29)(H,30,31)(H4,23,24,26)(H2,27,28,32)
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(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
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 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta1 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
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141333
PNG
(2-tert-Butoxycarbonylamino-3-[4-(3-guanidino-benzo...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccc(NC(=O)c2cccc(c2)N=C(N)N)cc1)C(O)=O
Show InChI InChI=1S/C22H27N5O5/c1-22(2,3)32-21(31)27-17(19(29)30)11-13-7-9-15(10-8-13)25-18(28)14-5-4-6-16(12-14)26-20(23)24/h4-10,12,17H,11H2,1-3H3,(H,25,28)(H,27,31)(H,29,30)(H4,23,24,26)
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(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 9.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Integrin alphav-beta1 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
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141329
PNG
(2-Benzenesulfonylamino-3-{4-[3-(1,4,5,6-tetrahydro...)
Show SMILES OC(=O)C(Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H27N5O5S/c32-24(19-6-4-7-21(17-19)30-26-27-14-5-15-28-26)29-20-12-10-18(11-13-20)16-23(25(33)34)31-37(35,36)22-8-2-1-3-9-22/h1-4,6-13,17,23,31H,5,14-16H2,(H,29,32)(H,33,34)(H2,27,28,30)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(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
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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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta1 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
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199343
PNG
(CHEMBL3957812)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)C(O)=O)cc1
Show InChI InChI=1S/C26H33N7O8S/c27-26(28)29-13-2-1-8-23(34)30-18-11-9-17(10-12-18)15-21(25(36)37)31-24(35)22-7-4-14-32(22)42(40,41)20-6-3-5-19(16-20)33(38)39/h3,5-6,9-12,16,21-22H,1-2,4,7-8,13-15H2,(H,30,34)(H,31,35)(H,36,37)(H4,27,28,29)/t21-,22-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199343
PNG
(CHEMBL3957812)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(c2)[N+]([O-])=O)C(O)=O)cc1
Show InChI InChI=1S/C26H33N7O8S/c27-26(28)29-13-2-1-8-23(34)30-18-11-9-17(10-12-18)15-21(25(36)37)31-24(35)22-7-4-14-32(22)42(40,41)20-6-3-5-19(16-20)33(38)39/h3,5-6,9-12,16,21-22H,1-2,4,7-8,13-15H2,(H,30,34)(H,31,35)(H,36,37)(H4,27,28,29)/t21-,22-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199199
PNG
(CHEMBL3972051)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CSCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C25H32N6O6S2/c26-25(27)28-13-5-4-8-22(32)29-18-11-9-17(10-12-18)14-20(24(34)35)30-23(33)21-15-38-16-31(21)39(36,37)19-6-2-1-3-7-19/h1-3,6-7,9-12,20-21H,4-5,8,13-16H2,(H,29,32)(H,30,33)(H,34,35)(H4,26,27,28)/t20-,21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141350
PNG
(2-Acetylamino-3-[4-(3-guanidino-benzoylamino)-phen...)
Show SMILES CC(=O)NC(Cc1ccc(NC(=O)c2cccc(c2)N=C(N)N)cc1)C(O)=O
Show InChI InChI=1S/C19H21N5O4/c1-11(25)22-16(18(27)28)9-12-5-7-14(8-6-12)23-17(26)13-3-2-4-15(10-13)24-19(20)21/h2-8,10,16H,9H2,1H3,(H,22,25)(H,23,26)(H,27,28)(H4,20,21,24)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199199
PNG
(CHEMBL3972051)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CSCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C25H32N6O6S2/c26-25(27)28-13-5-4-8-22(32)29-18-11-9-17(10-12-18)14-20(24(34)35)30-23(33)21-15-38-16-31(21)39(36,37)19-6-2-1-3-7-19/h1-3,6-7,9-12,20-21H,4-5,8,13-16H2,(H,29,32)(H,30,33)(H,34,35)(H4,26,27,28)/t20-,21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50138324
PNG
((S)-2-(3,5-Dichloro-biphenyl-4-sulfonyl)-3-({8-[(1...)
Show SMILES OC(=O)[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)S(=O)(=O)c1c(Cl)cc(cc1Cl)-c1ccccc1
Show InChI InChI=1S/C28H29Cl2N5O6S/c29-20-12-19(18-4-2-1-3-5-18)13-21(30)24(20)42(39,40)23(26(37)38)16-33-25(36)22-14-28(41-35-22)8-6-17(7-9-28)15-34-27-31-10-11-32-27/h1-5,10-13,17,23H,6-9,14-16H2,(H,33,36)(H,37,38)(H2,31,32,34)/t17?,23-,28?/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...


Bioorg Med Chem Lett 14: 383-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.057
BindingDB Entry DOI: 10.7270/Q2571BFX
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141309
PNG
(2-Benzenesulfonylamino-3-[4-(3-guanidino-benzoylam...)
Show SMILES NC(N)=Nc1cccc(c1)C(=O)Nc1ccc(CC(NS(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C23H23N5O5S/c24-23(25)27-18-6-4-5-16(14-18)21(29)26-17-11-9-15(10-12-17)13-20(22(30)31)28-34(32,33)19-7-2-1-3-8-19/h1-12,14,20,28H,13H2,(H,26,29)(H,30,31)(H4,24,25,27)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141313
PNG
(2-Isopropoxycarbonylamino-3-{4-[3-(5-oxo-4,5-dihyd...)
Show SMILES CC(C)OC(=O)NC(Cc1ccc(NC(=O)c2cccc(Nc3nc(O)c[nH]3)c2)cc1)C(O)=O
Show InChI InChI=1S/C23H25N5O6/c1-13(2)34-23(33)27-18(21(31)32)10-14-6-8-16(9-7-14)25-20(30)15-4-3-5-17(11-15)26-22-24-12-19(29)28-22/h3-9,11-13,18,29H,10H2,1-2H3,(H,25,30)(H,27,33)(H,31,32)(H2,24,26,28)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(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
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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n/an/a 28n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta1 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
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50141310
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenyl]-2-methanes...)
Show SMILES CS(=O)(=O)NC(Cc1ccc(NC(=O)c2cccc(c2)N=C(N)N)cc1)C(O)=O
Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)23-15(17(25)26)9-11-5-7-13(8-6-11)21-16(24)12-3-2-4-14(10-12)22-18(19)20/h2-8,10,15,23H,9H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22)
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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50138308
PNG
((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@]2(C[C@@H](CNc3ncc[nH]3)N(C2)C(=O)OCc2cccnc2)C1)C(O)=O
Show InChI InChI=1S/C30H36N8O8S/c1-18-9-19(2)25(20(3)10-18)47(43,44)37-24(27(40)41)15-34-26(39)23-12-30(46-36-23)11-22(14-35-28-32-7-8-33-28)38(17-30)29(42)45-16-21-5-4-6-31-13-21/h4-10,13,22,24,37H,11-12,14-17H2,1-3H3,(H,34,39)(H,40,41)(H2,32,33,35)/t22-,24-,30-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...


Bioorg Med Chem Lett 14: 383-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.057
BindingDB Entry DOI: 10.7270/Q2571BFX
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Vitronectin receptor alpha


(Homo sapiens (Human))
BDBM50199408
PNG
(CHEMBL3901536)
Show SMILES NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C25H33N7O6S/c26-25(27)29-13-2-1-7-22(33)30-18-10-8-17(9-11-18)15-20(24(35)36)31-23(34)21-6-4-14-32(21)39(37,38)19-5-3-12-28-16-19/h3,5,8-12,16,20-21H,1-2,4,6-7,13-15H2,(H,30,33)(H,31,34)(H,35,36)(H4,26,27,29)/t20-,21-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
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