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PubMed code 12127523

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116165
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(1-pyridin-3-y...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C27H28N2O4/c1-33-24-9-3-2-8-22(24)20-12-10-19(11-13-20)17-23(25(30)31)29-26(32)27(14-4-5-15-27)21-7-6-16-28-18-21/h2-3,6-13,16,18,23H,4-5,14-15,17H2,1H3,(H,29,32)(H,30,31)/t23-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116164
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-(2-methoxy-...)
Show SMILES COc1cc(ccn1)C1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1OC)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-34-24-8-4-3-7-22(24)20-11-9-19(10-12-20)17-23(26(31)32)30-27(33)28(14-5-6-15-28)21-13-16-29-25(18-21)35-2/h3-4,7-13,16,18,23H,5-6,14-15,17H2,1-2H3,(H,30,33)(H,31,32)/t23-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116179
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(1-pyridin-3-y...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CC=CC2)c2cccnc2)C(O)=O)cc1 |c:20|
Show InChI InChI=1S/C27H26N2O4/c1-33-24-9-3-2-8-22(24)20-12-10-19(11-13-20)17-23(25(30)31)29-26(32)27(14-4-5-15-27)21-7-6-16-28-18-21/h2-13,16,18,23H,14-15,17H2,1H3,(H,29,32)(H,30,31)/t23-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116176
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-(1-methyl-6...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2ccc(=O)n(C)c2)C(O)=O)cc1
Show InChI InChI=1S/C28H30N2O5/c1-30-18-21(13-14-25(30)31)28(15-5-6-16-28)27(34)29-23(26(32)33)17-19-9-11-20(12-10-19)22-7-3-4-8-24(22)35-2/h3-4,7-14,18,23H,5-6,15-17H2,1-2H3,(H,29,34)(H,32,33)/t23-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116172
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-(4-methyl-p...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2cnccc2C)C(O)=O)cc1
Show InChI InChI=1S/C28H30N2O4/c1-19-13-16-29-18-23(19)28(14-5-6-15-28)27(33)30-24(26(31)32)17-20-9-11-21(12-10-20)22-7-3-4-8-25(22)34-2/h3-4,7-13,16,18,24H,5-6,14-15,17H2,1-2H3,(H,30,33)(H,31,32)/t24-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116162
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-(6-oxo-1,6-...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2ccc(=O)[nH]c2)C(O)=O)cc1
Show InChI InChI=1S/C27H28N2O5/c1-34-23-7-3-2-6-21(23)19-10-8-18(9-11-19)16-22(25(31)32)29-26(33)27(14-4-5-15-27)20-12-13-24(30)28-17-20/h2-3,6-13,17,22H,4-5,14-16H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116181
PNG
((S)-2-[(1'-Acetyl-2',3',5',6'-tetrahydro-1'H-[3,4'...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCN(CC2)C(C)=O)c2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C29H31N3O5/c1-20(33)32-16-13-29(14-17-32,23-6-5-15-30-19-23)28(36)31-25(27(34)35)18-21-9-11-22(12-10-21)24-7-3-4-8-26(24)37-2/h3-12,15,19,25H,13-14,16-18H2,1-2H3,(H,31,36)(H,34,35)/t25-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116184
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(1-pyridazin-4...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2ccnnc2)C(O)=O)cc1
Show InChI InChI=1S/C26H27N3O4/c1-33-23-7-3-2-6-21(23)19-10-8-18(9-11-19)16-22(24(30)31)29-25(32)26(13-4-5-14-26)20-12-15-27-28-17-20/h2-3,6-12,15,17,22H,4-5,13-14,16H2,1H3,(H,29,32)(H,30,31)/t22-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116167
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-(6-methyl-p...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2ccc(C)nc2)C(O)=O)cc1
Show InChI InChI=1S/C28H30N2O4/c1-19-9-14-22(18-29-19)28(15-5-6-16-28)27(33)30-24(26(31)32)17-20-10-12-21(13-11-20)23-7-3-4-8-25(23)34-2/h3-4,7-14,18,24H,5-6,15-17H2,1-2H3,(H,30,33)(H,31,32)/t24-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116191
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-(2-methyl-p...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2cccnc2C)C(O)=O)cc1
Show InChI InChI=1S/C28H30N2O4/c1-19-23(9-7-17-29-19)28(15-5-6-16-28)27(33)30-24(26(31)32)18-20-11-13-21(14-12-20)22-8-3-4-10-25(22)34-2/h3-4,7-14,17,24H,5-6,15-16,18H2,1-2H3,(H,30,33)(H,31,32)/t24-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116174
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(1-pyridin-4-y...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2ccncc2)C(O)=O)cc1
Show InChI InChI=1S/C27H28N2O4/c1-33-24-7-3-2-6-22(24)20-10-8-19(9-11-20)18-23(25(30)31)29-26(32)27(14-4-5-15-27)21-12-16-28-17-13-21/h2-3,6-13,16-17,23H,4-5,14-15,18H2,1H3,(H,29,32)(H,30,31)/t23-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116161
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(1'-methyl-2',...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCN(C)CC2)c2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C28H31N3O4/c1-31-16-13-28(14-17-31,22-6-5-15-29-19-22)27(34)30-24(26(32)33)18-20-9-11-21(12-10-20)23-7-3-4-8-25(23)35-2/h3-12,15,19,24H,13-14,16-18H2,1-2H3,(H,30,34)(H,32,33)/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116166
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(2',3',5',6'-t...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCNCC2)c2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C27H29N3O4/c1-34-24-7-3-2-6-22(24)20-10-8-19(9-11-20)17-23(25(31)32)30-26(33)27(12-15-28-16-13-27)21-5-4-14-29-18-21/h2-11,14,18,23,28H,12-13,15-17H2,1H3,(H,30,33)(H,31,32)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116154
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(4-pyridin-3-y...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCOCC2)c2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C27H28N2O5/c1-33-24-7-3-2-6-22(24)20-10-8-19(9-11-20)17-23(25(30)31)29-26(32)27(12-15-34-16-13-27)21-5-4-14-28-18-21/h2-11,14,18,23H,12-13,15-17H2,1H3,(H,29,32)(H,30,31)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116194
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(3-methyl-1-py...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCC(C)C2)c2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C28H30N2O4/c1-19-13-14-28(17-19,22-6-5-15-29-18-22)27(33)30-24(26(31)32)16-20-9-11-21(12-10-20)23-7-3-4-8-25(23)34-2/h3-12,15,18-19,24H,13-14,16-17H2,1-2H3,(H,30,33)(H,31,32)/t19?,24-,28?/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116177
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(1-quinolin-3-...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2cnc3ccccc3c2)C(O)=O)cc1
Show InChI InChI=1S/C31H30N2O4/c1-37-28-11-5-3-9-25(28)22-14-12-21(13-15-22)18-27(29(34)35)33-30(36)31(16-6-7-17-31)24-19-23-8-2-4-10-26(23)32-20-24/h2-5,8-15,19-20,27H,6-7,16-18H2,1H3,(H,33,36)(H,34,35)/t27-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116178
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(1-phenyl-cycl...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C28H29NO4/c1-33-25-12-6-5-11-23(25)21-15-13-20(14-16-21)19-24(26(30)31)29-27(32)28(17-7-8-18-28)22-9-3-2-4-10-22/h2-6,9-16,24H,7-8,17-19H2,1H3,(H,29,32)(H,30,31)/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116186
PNG
((S)-2-[(1-Isoquinolin-4-yl-cyclopentanecarbonyl)-a...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2cncc3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C31H30N2O4/c1-37-28-11-5-4-10-25(28)22-14-12-21(13-15-22)18-27(29(34)35)33-30(36)31(16-6-7-17-31)26-20-32-19-23-8-2-3-9-24(23)26/h2-5,8-15,19-20,27H,6-7,16-18H2,1H3,(H,33,36)(H,34,35)/t27-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116159
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(1-pyridin-3-y...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCCC2)c2cccnc2)C(O)=O)cc1
Show InChI InChI=1S/C28H30N2O4/c1-34-25-10-4-3-9-23(25)21-13-11-20(12-14-21)18-24(26(31)32)30-27(33)28(15-5-2-6-16-28)22-8-7-17-29-19-22/h3-4,7-14,17,19,24H,2,5-6,15-16,18H2,1H3,(H,30,33)(H,31,32)/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116157
PNG
((S)-2-{[1-(5-Bromo-pyridin-3-yl)-cyclopentanecarbo...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2cncc(Br)c2)C(O)=O)cc1
Show InChI InChI=1S/C27H27BrN2O4/c1-34-24-7-3-2-6-22(24)19-10-8-18(9-11-19)14-23(25(31)32)30-26(33)27(12-4-5-13-27)20-15-21(28)17-29-16-20/h2-3,6-11,15-17,23H,4-5,12-14H2,1H3,(H,30,33)(H,31,32)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116160
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-{[1-(1-oxy-pyri...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2ccc[n+]([O-])c2)C(O)=O)cc1
Show InChI InChI=1S/C27H28N2O5/c1-34-24-9-3-2-8-22(24)20-12-10-19(11-13-20)17-23(25(30)31)28-26(32)27(14-4-5-15-27)21-7-6-16-29(33)18-21/h2-3,6-13,16,18,23H,4-5,14-15,17H2,1H3,(H,28,32)(H,30,31)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50116185
PNG
((S)-3-(2'-Methoxy-biphenyl-4-yl)-2-[(1-pyridin-2-y...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCCC2)c2ccccn2)C(O)=O)cc1
Show InChI InChI=1S/C27H28N2O4/c1-33-23-9-3-2-8-21(23)20-13-11-19(12-14-20)18-22(25(30)31)29-26(32)27(15-5-6-16-27)24-10-4-7-17-28-24/h2-4,7-14,17,22H,5-6,15-16,18H2,1H3,(H,29,32)(H,30,31)/t22-/m0/s1
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n/an/a 215n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells

Bioorg Med Chem Lett 12: 2141-4 (2002)


BindingDB Entry DOI: 10.7270/Q2J965QF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%