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Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with Target = 'Integrin beta-6/Vitronectin receptor alpha' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110227
PNG
(3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...)
Show SMILES Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2ccc(cc2)-c2cccc3ccccc23)c1
Show InChI InChI=1S/C31H32N4O4/c1-21-15-17-33-28(18-21)32-16-5-10-29(36)34-20-30(37)35-27(19-31(38)39)24-13-11-23(12-14-24)26-9-4-7-22-6-2-3-8-25(22)26/h2-4,6-9,11-15,17-18,27H,5,10,16,19-20H2,1H3,(H,32,33)(H,34,36)(H,35,37)(H,38,39)
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n/an/a 0.0400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110228
PNG
(3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...)
Show SMILES Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C22H25F3N4O5/c1-14-7-9-27-18(10-14)26-8-3-6-19(30)28-13-20(31)29-17(12-21(32)33)15-4-2-5-16(11-15)34-22(23,24)25/h2,4-5,7,9-11,17H,3,6,8,12-13H2,1H3,(H,26,27)(H,28,30)(H,29,31)(H,32,33)
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n/an/a 0.150n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110236
PNG
(3-(3,5-Dichloro-phenyl)-3-{2-[5-(4-methyl-pyridin-...)
Show SMILES Cc1ccnc(NCCCCC(=O)NCC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C22H26Cl2N4O4/c1-14-5-7-26-19(8-14)25-6-3-2-4-20(29)27-13-21(30)28-18(12-22(31)32)15-9-16(23)11-17(24)10-15/h5,7-11,18H,2-4,6,12-13H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H,31,32)
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n/an/a 0.400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110232
PNG
(3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...)
Show SMILES OC(=O)CC(NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-25(11-5-7-17-29-24-10-4-6-16-28-24)30-19-26(33)31-23(18-27(34)35)22-14-12-21(13-15-22)20-8-2-1-3-9-20/h1-4,6,8-10,12-16,23H,5,7,11,17-19H2,(H,28,29)(H,30,32)(H,31,33)(H,34,35)
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n/an/a 0.600n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110229
PNG
(3-({[2-(5-(4-methyl-pyridin-2-ylamino)-pentanoyl)h...)
Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C21H25Cl2N5O4/c1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)
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n/an/a 1.70n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110231
PNG
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
Show SMILES OC(=O)CC(NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H23N5O6/c26-18(8-4-10-22-17-7-1-2-9-21-17)23-13-19(27)24-16(12-20(28)29)14-5-3-6-15(11-14)25(30)31/h1-3,5-7,9,11,16H,4,8,10,12-13H2,(H,21,22)(H,23,26)(H,24,27)(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110227
PNG
(3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...)
Show SMILES Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2ccc(cc2)-c2cccc3ccccc23)c1
Show InChI InChI=1S/C31H32N4O4/c1-21-15-17-33-28(18-21)32-16-5-10-29(36)34-20-30(37)35-27(19-31(38)39)24-13-11-23(12-14-24)26-9-4-7-22-6-2-3-8-25(22)26/h2-4,6-9,11-15,17-18,27H,5,10,16,19-20H2,1H3,(H,32,33)(H,34,36)(H,35,37)(H,38,39)
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n/an/a 4n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209432
PNG
((3R)-3-(3-bromo-5-iodophenyl)-3-(2-(3-(5-fluoro-1,...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCC(F)CN1)c1cc(Br)cc(I)c1
Show InChI InChI=1S/C22H22BrFIN5O5/c23-13-1-11(2-15(25)5-13)18(7-20(33)34)30-19(32)10-26-21(35)12-3-16(6-17(31)4-12)29-22-27-8-14(24)9-28-22/h1-6,14,18,31H,7-10H2,(H,26,35)(H,30,32)(H,33,34)(H2,27,28,29)/t18-/m1/s1
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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 alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209489
PNG
((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-f...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cncc(c1)N=C1NCC(F)CN1)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C21H21Cl2FN6O5/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)30-17(31)9-26-20(35)10-1-13(8-25-5-10)29-21-27-6-12(24)7-28-21/h1-3,5,8,12,16,34H,4,6-7,9H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t16-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209431
PNG
((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-f...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cccc(c1)N=C1NCC(F)CN1)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C22H22Cl2FN5O5/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50429470
PNG
(CHEMBL2332833)
Show SMILES NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17+,18-,21+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209451
PNG
((beta1R)-3,5-dibromo-b-[[[[3-[(5-fluoro-1,4,5,6-te...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCC(F)CN1)c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C22H22Br2FN5O5/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)30-19(32)10-26-21(35)12-3-16(6-17(31)4-12)29-22-27-8-15(25)9-28-22/h1-6,15,18,31H,7-10H2,(H,26,35)(H,30,32)(H,33,34)(H2,27,28,29)/t18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50001758
PNG
(CHEMBL3233259)
Show SMILES COc1ccnc(NCCCOc2ccc(C[C@@H](CC(O)=O)NC(=O)c3ccc(OC(C)C)cc3)cc2)c1
Show InChI InChI=1S/C29H35N3O6/c1-20(2)38-25-11-7-22(8-12-25)29(35)32-23(18-28(33)34)17-21-5-9-24(10-6-21)37-16-4-14-30-27-19-26(36-3)13-15-31-27/h5-13,15,19-20,23H,4,14,16-18H2,1-3H3,(H,30,31)(H,32,35)(H,33,34)/t23-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of LAP binding to human alphavbeta6 integrin receptor after 1 hr by competitive solid-phase binding ELISA


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209475
PNG
((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-h...)
Show SMILES OC1CNC(NC1)=Nc1cccc(c1)C(=O)NCC(=O)N[C@H](CC(O)=O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C22H23Cl2N5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human 293 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209473
PNG
((R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(1,4,...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cccc(c1)N=C1NCCCN1)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C22H23Cl2N5O5/c23-13-8-15(20(33)16(24)9-13)17(10-19(31)32)29-18(30)11-27-21(34)12-3-1-4-14(7-12)28-22-25-5-2-6-26-22/h1,3-4,7-9,17,33H,2,5-6,10-11H2,(H,27,34)(H,29,30)(H,31,32)(H2,25,26,28)/t17-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209453
PNG
((3R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cccc(c1)N=C1NCC(F)CN1)c1cc(Br)cc(Cl)c1O
Show InChI InChI=1S/C22H22BrClFN5O5/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)30-18(31)10-26-21(35)11-2-1-3-14(4-11)29-22-27-8-13(25)9-28-22/h1-6,13,17,34H,7-10H2,(H,26,35)(H,30,31)(H,32,33)(H2,27,28,29)/t17-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209480
PNG
((3R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-(5-hy...)
Show SMILES OC1CNC(NC1)=Nc1cccc(c1)C(=O)NCC(=O)N[C@H](CC(O)=O)c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C22H23Br2N5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
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 25.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110228
PNG
(3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...)
Show SMILES Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C22H25F3N4O5/c1-14-7-9-27-18(10-14)26-8-3-6-19(30)28-13-20(31)29-17(12-21(32)33)15-4-2-5-16(11-15)34-22(23,24)25/h2,4-5,7,9-11,17H,3,6,8,12-13H2,1H3,(H,26,27)(H,28,30)(H,29,31)(H,32,33)
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n/an/a 30n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50429461
PNG
(CHEMBL2332369)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C43H77N15O17/c1-18(2)13-24(35(68)51-23(10-8-12-50-43(47)48)34(67)58-32(21(6)61)41(74)75)53-39(72)28(17-59)56-38(71)26(15-29(62)63)54-36(69)25(14-19(3)4)52-37(70)27(16-30(64)65)55-40(73)31(20(5)60)57-33(66)22(44)9-7-11-49-42(45)46/h18-28,31-32,59-61H,7-17,44H2,1-6H3,(H,51,68)(H,52,70)(H,53,72)(H,54,69)(H,55,73)(H,56,71)(H,57,66)(H,58,67)(H,62,63)(H,64,65)(H,74,75)(H4,45,46,49)(H4,47,48,50)/t20-,21-,22+,23+,24+,25+,26+,27+,28+,31+,32+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209427
PNG
((3R)-3-(3,5-dichlorophenyl)-3-(2-(3-(5-fluoro-1,4,...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCC(F)CN1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H22Cl2FN5O5/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)30-19(32)10-26-21(35)12-3-16(6-17(31)4-12)29-22-27-8-15(25)9-28-22/h1-6,15,18,31H,7-10H2,(H,26,35)(H,30,32)(H,33,34)(H2,27,28,29)/t18-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209448
PNG
((3R)-3-(3,5-dichloro-2-hydroxyphenyl)-3-(2-(3-(5-f...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCC(F)CN1)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C22H22Cl2FN5O6/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110237
PNG
(3-(3,5-Dichloro-phenyl)-4-{N'-[5-(4-methyl-pyridin...)
Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C22H26Cl2N4O4/c1-14-5-7-26-19(8-14)25-6-3-2-4-20(29)27-28-21(30)11-16(12-22(31)32)15-9-17(23)13-18(24)10-15/h5,7-10,13,16H,2-4,6,11-12H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H,31,32)
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n/an/a 44n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209444
PNG
((3R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES OC1CNC(NC1)=Nc1cccc(c1)C(=O)NCC(=O)N[C@H](CC(O)=O)c1cc(Br)cc(Cl)c1O
Show InChI InChI=1S/C22H23BrClN5O6/c23-12-5-15(20(34)16(24)6-12)17(7-19(32)33)29-18(31)10-25-21(35)11-2-1-3-13(4-11)28-22-26-8-14(30)9-27-22/h1-6,14,17,30,34H,7-10H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t17-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209426
PNG
((3R)-3-(3,5-dimethylphenyl)-3-(2-(3-(5-fluoro-1,4,...)
Show SMILES Cc1cc(C)cc(c1)[C@@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCC(F)CN1
Show InChI InChI=1S/C24H28FN5O5/c1-13-3-14(2)5-15(4-13)20(9-22(33)34)30-21(32)12-26-23(35)16-6-18(8-19(31)7-16)29-24-27-10-17(25)11-28-24/h3-8,17,20,31H,9-12H2,1-2H3,(H,26,35)(H,30,32)(H,33,34)(H2,27,28,29)/t20-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209424
PNG
((3R)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES OC1CNC(NC1)=Nc1cc(O)cc(c1)C(=O)NCC(=O)N[C@H](CC(O)=O)c1cc(Cl)cc(Br)c1O
Show InChI InChI=1S/C22H23BrClN5O7/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human 293 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50100174
PNG
(3-Biphenyl-4-yl-4-{N'-[5-(4-methyl-pyridin-2-ylami...)
Show SMILES Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(O)=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C28H32N4O4/c1-20-14-16-30-25(17-20)29-15-6-5-9-26(33)31-32-27(34)18-24(19-28(35)36)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-4,7-8,10-14,16-17,24H,5-6,9,15,18-19H2,1H3,(H,29,30)(H,31,33)(H,32,34)(H,35,36)
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n/an/a 53n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209485
PNG
((3R)-3-(3-bromo-5-chlorophenyl)-3-(2-(3-(5-fluoro-...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCC(F)CN1)c1cc(Cl)cc(Br)c1
Show InChI InChI=1S/C22H22BrClFN5O5/c23-13-1-11(2-14(24)5-13)18(7-20(33)34)30-19(32)10-26-21(35)12-3-16(6-17(31)4-12)29-22-27-8-15(25)9-28-22/h1-6,15,18,31H,7-10H2,(H,26,35)(H,30,32)(H,33,34)(H2,27,28,29)/t18-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110225
PNG
(3-[7-(4-Methyl-pyridin-2-ylamino)-heptanoylamino]-...)
Show SMILES Cc1ccnc(NCCCCCCC(=O)NC(CC(O)=O)c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C22H28N4O5/c1-16-10-12-24-20(13-16)23-11-5-3-2-4-9-21(27)25-19(15-22(28)29)17-7-6-8-18(14-17)26(30)31/h6-8,10,12-14,19H,2-5,9,11,15H2,1H3,(H,23,24)(H,25,27)(H,28,29)
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n/an/a 61n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209458
PNG
((beta1R)-3,5-dichloro-b-[[[[3-[(5-hydroxy-1,4,5,6-...)
Show SMILES OC1CNC(NC1)=Nc1cc(O)cc(c1)C(=O)NCC(=O)N[C@H](CC(O)=O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C22H23Cl2N5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human 293 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209478
PNG
((3R)-3-(2-(3-amino-5-(5-fluoro-1,4,5,6-tetrahydrop...)
Show SMILES Cc1cc(C)c(O)c(c1)[C@@H](CC(O)=O)NC(=O)CNC(=O)c1cc(N)cc(c1)N=C1NCC(F)CN1
Show InChI InChI=1S/C24H29FN6O5/c1-12-3-13(2)22(35)18(4-12)19(8-21(33)34)31-20(32)11-27-23(36)14-5-16(26)7-17(6-14)30-24-28-9-15(25)10-29-24/h3-7,15,19,35H,8-11,26H2,1-2H3,(H,27,36)(H,31,32)(H,33,34)(H2,28,29,30)/t19-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
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 66.4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50429459
PNG
(CHEMBL2332367)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O
Show InChI InChI=1S/C27H41N9O7/c28-11-5-4-9-18-24(41)34-17(10-6-12-31-27(29)30)23(40)32-15-21(37)33-20(14-22(38)39)26(43)36-19(25(42)35-18)13-16-7-2-1-3-8-16/h1-3,7-8,17-20H,4-6,9-15,28H2,(H,32,40)(H,33,37)(H,34,41)(H,35,42)(H,36,43)(H,38,39)(H4,29,30,31)/t17-,18-,19+,20-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209474
PNG
((3R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCC(F)CN1)c1cc(Br)cc(Cl)c1O
Show InChI InChI=1S/C22H22BrClFN5O6/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(25)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209433
PNG
((R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-(...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cccc(c1)N=C1NCCCN1)c1cc(Br)cc(Cl)c1O
Show InChI InChI=1S/C22H23BrClN5O5/c23-13-8-15(20(33)16(24)9-13)17(10-19(31)32)29-18(30)11-27-21(34)12-3-1-4-14(7-12)28-22-25-5-2-6-26-22/h1,3-4,7-9,17,33H,2,5-6,10-11H2,(H,27,34)(H,29,30)(H,31,32)(H2,25,26,28)/t17-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110231
PNG
(3-(3-Nitro-phenyl)-3-{2-[4-(pyridin-2-ylamino)-but...)
Show SMILES OC(=O)CC(NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H23N5O6/c26-18(8-4-10-22-17-7-1-2-9-21-17)23-13-19(27)24-16(12-20(28)29)14-5-3-6-15(11-14)25(30)31/h1-3,5-7,9,11,16H,4,8,10,12-13H2,(H,21,22)(H,23,26)(H,24,27)(H,28,29)
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n/an/a 90n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50429464
PNG
(CHEMBL2332827)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C31H37N9O7/c32-31(33)34-12-6-11-21-27(43)38-22(13-18-15-35-20-10-5-4-9-19(18)20)28(44)40-26(17-7-2-1-3-8-17)29(45)39-23(30(46)47)14-24(41)36-16-25(42)37-21/h1-5,7-10,15,21-23,26,35H,6,11-14,16H2,(H,36,41)(H,37,42)(H,38,43)(H,39,45)(H,40,44)(H,46,47)(H4,32,33,34)/t21-,22+,23-,26+/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209470
PNG
((3R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-hydro...)
Show SMILES OC1CNC(NC1)=Nc1cc(O)cc(c1)C(=O)NCC(=O)N[C@H](CC(O)=O)c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C22H23Br2N5O7/c23-11-3-15(20(35)16(24)4-11)17(6-19(33)34)29-18(32)9-25-21(36)10-1-12(5-13(30)2-10)28-22-26-7-14(31)8-27-22/h1-5,14,17,30-31,35H,6-9H2,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t17-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110232
PNG
(3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...)
Show SMILES OC(=O)CC(NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H30N4O4/c32-25(11-5-7-17-29-24-10-4-6-16-28-24)30-19-26(33)31-23(18-27(34)35)22-14-12-21(13-15-22)20-8-2-1-3-9-20/h1-4,6,8-10,12-16,23H,5,7,11,17-19H2,(H,28,29)(H,30,32)(H,31,33)(H,34,35)
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n/an/a 100n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50429476
PNG
(CHEMBL2332839)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC(=O)CNC1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H30N8O7/c23-22(24)25-8-4-7-13-19(34)27-11-17(33)30-18(12-5-2-1-3-6-12)20(35)29-14(21(36)37)9-15(31)26-10-16(32)28-13/h1-3,5-6,13-14,18H,4,7-11H2,(H,26,31)(H,27,34)(H,28,32)(H,29,35)(H,30,33)(H,36,37)(H4,23,24,25)/t13-,14-,18+/m0/s1
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n/an/a 106n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209454
PNG
((3R)-3-(2-hydroxy-3,5-dimethylphenyl)-3-(2-(3-hydr...)
Show SMILES Cc1cc(C)c(O)c(c1)[C@@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCC(O)CN1
Show InChI InChI=1S/C24H29N5O7/c1-12-3-13(2)22(35)18(4-12)19(8-21(33)34)29-20(32)11-25-23(36)14-5-15(7-16(30)6-14)28-24-26-9-17(31)10-27-24/h3-7,17,19,30-31,35H,8-11H2,1-2H3,(H,25,36)(H,29,32)(H,33,34)(H2,26,27,28)/t19-/m1/s1
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n/an/a 118n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
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 131n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50429471
PNG
(CHEMBL2332834)
Show SMILES NCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17-,18-,21+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209465
PNG
((R)-3-(5-bromo-3-chloro-2-hydroxyphenyl)-3-(2-(3-h...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCCCN1)c1cc(Br)cc(Cl)c1O
Show InChI InChI=1S/C22H23BrClN5O6/c23-12-6-15(20(34)16(24)7-12)17(9-19(32)33)29-18(31)10-27-21(35)11-4-13(8-14(30)5-11)28-22-25-2-1-3-26-22/h4-8,17,30,34H,1-3,9-10H2,(H,27,35)(H,29,31)(H,32,33)(H2,25,26,28)/t17-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209436
PNG
((3R)-3-(5-chloro-2-hydroxy-3-iodophenyl)-3-(2-(3-(...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCC(F)CN1)c1cc(Cl)cc(I)c1O
Show InChI InChI=1S/C22H22ClFIN5O6/c23-11-3-15(20(35)16(25)4-11)17(6-19(33)34)30-18(32)9-26-21(36)10-1-13(5-14(31)2-10)29-22-27-7-12(24)8-28-22/h1-5,12,17,31,35H,6-9H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
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n/an/a 164n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human 293 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
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 164n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
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 189n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50110227
PNG
(3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...)
Show SMILES Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2ccc(cc2)-c2cccc3ccccc23)c1
Show InChI InChI=1S/C31H32N4O4/c1-21-15-17-33-28(18-21)32-16-5-10-29(36)34-20-30(37)35-27(19-31(38)39)24-13-11-23(12-14-24)26-9-4-7-22-6-2-3-8-25(22)26/h2-4,6-9,11-15,17-18,27H,5,10,16,19-20H2,1H3,(H,32,33)(H,34,36)(H,35,37)(H,38,39)
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n/an/a 200n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin


J Med Chem 45: 1045-51 (2002)

More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
BDBM50209430
PNG
((R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-hydrox...)
Show SMILES OC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(c1)N=C1NCCCN1)c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C22H23Br2N5O6/c23-12-6-15(20(34)16(24)7-12)17(9-19(32)33)29-18(31)10-27-21(35)11-4-13(8-14(30)5-11)28-22-25-2-1-3-26-22/h4-8,17,30,34H,1-3,9-10H2,(H,27,35)(H,29,31)(H,32,33)(H2,25,26,28)/t17-/m1/s1
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n/an/a 204n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-6/Vitronectin receptor alpha


(Homo sapiens)
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 216n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells


Citation and Details
More data for this
Ligand-Target Pair
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