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Compile Data Set for Download or QSAR

Found 5522 hits with Last Name = 'robinson' and Initial = 'm'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50240606
PNG
((2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(nap...)
Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-21(13-14-27-15-17-30-18-16-27)23-10-4-5-12-25(23)28(19)26(29)24-11-6-8-20-7-2-3-9-22(20)24/h2-12H,13-18H2,1H3
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8.5n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Activity at CB2 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
BindingDB Entry DOI: 10.7270/Q2G73DGR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Activity at CB2 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
BindingDB Entry DOI: 10.7270/Q2G73DGR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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260n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM82007
PNG
(L-2-L-2-amino-4-(5-tetrazolyl)butanoic acid | L-gl...)
Show SMILES N[C@@H](CC(C(O)=O)c1nnn[nH]1)C(O)=O |r|
Show InChI InChI=1S/C6H9N5O4/c7-3(6(14)15)1-2(5(12)13)4-8-10-11-9-4/h2-3H,1,7H2,(H,12,13)(H,14,15)(H,8,9,10,11)/t2?,3-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM82008
PNG
(2-amino-4-(methylphosphino) butanoic acid | CAS_77...)
Show SMILES CP([O-])(=O)CCC(N)C([O-])=O
Show InChI InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/p-2
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3.80E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM82005
PNG
(gamma-methyl-APB)
Show SMILES CC(C[C@H](N)C(O)=O)P(O)(O)=O |r|
Show InChI InChI=1S/C5H12NO5P/c1-3(12(9,10)11)2-4(6)5(7)8/h3-4H,2,6H2,1H3,(H,7,8)(H2,9,10,11)/t3?,4-/m0/s1
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8.60E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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9.60E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM81977
PNG
(CAS_79055-68-8 | CB3371309 | D-AP5 | D-APV)
Show SMILES N[C@H](CCCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM82006
PNG
(D-AP4 | D-APB | US9212196, L-AP4)
Show SMILES N[C@H](CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by PDSP Ki Database




Biochemistry 24: 2401-5 (1985)


Article DOI: 10.1021/bi00331a002
BindingDB Entry DOI: 10.7270/Q2W094FK
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50421639
PNG
(CHEMBL2110195)
Show SMILES CC(C)(C)C(=O)N\C(=C/c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O4/c1-21(2,3)20(29)25-16(19(27)28)11-12-7-9-13(10-8-12)24-18(26)17-14(22)5-4-6-15(17)23/h4-11H,1-3H3,(H,24,26)(H,25,29)(H,27,28)/b16-11-
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n/an/a 0.0500n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 to VCAM-1 binding


Bioorg Med Chem Lett 13: 805-8 (2003)


BindingDB Entry DOI: 10.7270/Q25M670J
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111241
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CCCN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-8-29(2)19-18(20(30)21(19)31)28-16(23(33)34)9-12-4-6-13(7-5-12)27-22(32)17-14(24)10-26-11-15(17)25/h4-7,10-11,16,28H,3,8-9H2,1-2H3,(H,27,32)(H,33,34)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111261
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CCN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C22H20Cl2N4O5/c1-3-28(2)18-17(19(29)20(18)30)27-15(22(32)33)8-11-4-6-12(7-5-11)26-21(31)16-13(23)9-25-10-14(16)24/h4-7,9-10,15,27H,3,8H2,1-2H3,(H,26,31)(H,32,33)/t15-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111240
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCSCC2)c(=O)c1=O
Show InChI InChI=1S/C23H20Cl2N4O5S/c24-14-10-26-11-15(25)17(14)22(32)27-13-3-1-12(2-4-13)9-16(23(33)34)28-18-19(21(31)20(18)30)29-5-7-35-8-6-29/h1-4,10-11,16,28H,5-9H2,(H,27,32)(H,33,34)/t16-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a cell based ligand binding assay (Jurkat cells)


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50008022
PNG
((4-Methoxy-phenyl)-(3-morpholin-4-ylmethyl-2,3-dih...)
Show SMILES COc1ccc(cc1)C(=O)c1c2CCC(CN3CCOCC3)n2c2ccccc12
Show InChI InChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
BindingDB Entry DOI: 10.7270/Q2G73DGR
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111251
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CCN(CC)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-29(4-2)19-18(20(30)21(19)31)28-16(23(33)34)9-12-5-7-13(8-6-12)27-22(32)17-14(24)10-26-11-15(17)25/h5-8,10-11,16,28H,3-4,9H2,1-2H3,(H,27,32)(H,33,34)/t16-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111253
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCNCC2)c(=O)c1=O
Show InChI InChI=1S/C23H21Cl2N5O5/c24-14-10-27-11-15(25)17(14)22(33)28-13-3-1-12(2-4-13)9-16(23(34)35)29-18-19(21(32)20(18)31)30-7-5-26-6-8-30/h1-4,10-11,16,26,29H,5-9H2,(H,28,33)(H,34,35)/t16-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111238
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCCCC2)c(=O)c1=O
Show InChI InChI=1S/C24H22Cl2N4O5/c25-15-11-27-12-16(26)18(15)23(33)28-14-6-4-13(5-7-14)10-17(24(34)35)29-19-20(22(32)21(19)31)30-8-2-1-3-9-30/h4-7,11-12,17,29H,1-3,8-10H2,(H,28,33)(H,34,35)/t17-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111230
PNG
((S)-2-(2-Butylamino-3,4-dioxo-cyclobut-1-enylamino...)
Show SMILES CCCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C23H22Cl2N4O5/c1-2-3-8-27-18-19(21(31)20(18)30)29-16(23(33)34)9-12-4-6-13(7-5-12)28-22(32)17-14(24)10-26-11-15(17)25/h4-7,10-11,16,27,29H,2-3,8-9H2,1H3,(H,28,32)(H,33,34)/t16-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111248
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CCN1CCN(CC1)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C25H25Cl2N5O5/c1-2-31-7-9-32(10-8-31)21-20(22(33)23(21)34)30-18(25(36)37)11-14-3-5-15(6-4-14)29-24(35)19-16(26)12-28-13-17(19)27/h3-6,12-13,18,30H,2,7-11H2,1H3,(H,29,35)(H,36,37)/t18-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111258
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C21H18Cl2N4O5/c1-27(2)17-16(18(28)19(17)29)26-14(21(31)32)7-10-3-5-11(6-4-10)25-20(30)15-12(22)8-24-9-13(15)23/h3-6,8-9,14,26H,7H2,1-2H3,(H,25,30)(H,31,32)/t14-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111256
PNG
((S)-2-(2-sec-Butylamino-3,4-dioxo-cyclobut-1-enyla...)
Show SMILES CCC(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-11(2)27-18-19(21(31)20(18)30)29-16(23(33)34)8-12-4-6-13(7-5-12)28-22(32)17-14(24)9-26-10-15(17)25/h4-7,9-11,16,27,29H,3,8H2,1-2H3,(H,28,32)(H,33,34)/t11?,16-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111229
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CC(C)CNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C23H22Cl2N4O5/c1-11(2)8-27-18-19(21(31)20(18)30)29-16(23(33)34)7-12-3-5-13(6-4-12)28-22(32)17-14(24)9-26-10-15(17)25/h3-6,9-11,16,27,29H,7-8H2,1-2H3,(H,28,32)(H,33,34)/t16-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50114276
PNG
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)
Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N4O5S/c1-11(28)27-10-33-9-17(27)19(29)26-16(21(31)32)6-12-2-4-13(5-3-12)25-20(30)18-14(22)7-24-8-15(18)23/h2-5,7-8,16-17H,6,9-10H2,1H3,(H,25,30)(H,26,29)(H,31,32)/t16-,17+/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 from HL60 lysate in a protein-based ligand binding assay.


Bioorg Med Chem Lett 12: 1591-4 (2002)


BindingDB Entry DOI: 10.7270/Q23T9JHK
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50114291
PNG
((S)-2-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-3...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H14Cl4N4O4/c22-12-6-26-7-13(23)17(12)19(30)28-11-3-1-10(2-4-11)5-16(21(32)33)29-20(31)18-14(24)8-27-9-15(18)25/h1-4,6-9,16H,5H2,(H,28,30)(H,29,31)(H,32,33)/t16-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 expressed in Jurkat cell line, in a cell-based adhesion assay.


Bioorg Med Chem Lett 12: 1591-4 (2002)


BindingDB Entry DOI: 10.7270/Q23T9JHK
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111259
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCOCC2)c(=O)c1=O
Show InChI InChI=1S/C23H20Cl2N4O6/c24-14-10-26-11-15(25)17(14)22(32)27-13-3-1-12(2-4-13)9-16(23(33)34)28-18-19(21(31)20(18)30)29-5-7-35-8-6-29/h1-4,10-11,16,28H,5-9H2,(H,27,32)(H,33,34)/t16-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50114276
PNG
((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)
Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H20Cl2N4O5S/c1-11(28)27-10-33-9-17(27)19(29)26-16(21(31)32)6-12-2-4-13(5-3-12)25-20(30)18-14(22)7-24-8-15(18)23/h2-5,7-8,16-17H,6,9-10H2,1H3,(H,25,30)(H,26,29)(H,31,32)/t16-,17+/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 from HL60 lysate in a protein-based ligand binding assay.


Bioorg Med Chem Lett 12: 1591-4 (2002)


BindingDB Entry DOI: 10.7270/Q23T9JHK
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111260
PNG
((S)-2-(2-Diethylamino-3,4-dioxo-cyclobut-1-enylami...)
Show SMILES CCN(CC)c1c(N[C@@H](Cc2ccc(cc2)-c2c(OC)cccc2OC)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C25H28N2O6/c1-5-27(6-2)22-21(23(28)24(22)29)26-17(25(30)31)14-15-10-12-16(13-11-15)20-18(32-3)8-7-9-19(20)33-4/h7-13,17,26H,5-6,14H2,1-4H3,(H,30,31)/t17-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111244
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CCCC(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C24H24Cl2N4O5/c1-3-4-12(2)28-19-20(22(32)21(19)31)30-17(24(34)35)9-13-5-7-14(8-6-13)29-23(33)18-15(25)10-27-11-16(18)26/h5-8,10-12,17,28,30H,3-4,9H2,1-2H3,(H,29,33)(H,34,35)/t12?,17-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111249
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C21H18Cl2N4O5/c1-2-25-16-17(19(29)18(16)28)27-14(21(31)32)7-10-3-5-11(6-4-10)26-20(30)15-12(22)8-24-9-13(15)23/h3-6,8-9,14,25,27H,2,7H2,1H3,(H,26,30)(H,31,32)/t14-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM420298
PNG
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma


(Canis lupus familiaris (Dog))
BDBM14397
PNG
(5-(5-acetyl-2-ethoxyphenyl)-1-methyl-3-propyl-1H,6...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(C)=O
Show InChI InChI=1S/C19H22N4O3/c1-5-7-14-16-17(23(4)22-14)19(25)21-18(20-16)13-10-12(11(3)24)8-9-15(13)26-6-2/h8-10H,5-7H2,1-4H3,(H,20,21,25)
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n/an/a 0.900n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50114291
PNG
((S)-2-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-3...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H14Cl4N4O4/c22-12-6-26-7-13(23)17(12)19(30)28-11-3-1-10(2-4-11)5-16(21(32)33)29-20(31)18-14(24)8-27-9-15(18)25/h1-4,6-9,16H,5H2,(H,28,30)(H,29,31)(H,32,33)/t16-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 from HL60 lysate in a protein-based ligand binding assay.


Bioorg Med Chem Lett 12: 1591-4 (2002)


BindingDB Entry DOI: 10.7270/Q23T9JHK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14408
PNG
(5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[(1-me...)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1)C(C)=O
Show InChI InChI=1S/C23H27N7O3/c1-5-7-10-33-23-16(11-15(12-25-23)14(3)31)21-26-19-17(6-2)30(28-20(19)22(32)27-21)13-18-24-8-9-29(18)4/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,26,27,32)
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Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111225
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C20H16Cl2N4O5/c1-23-15-16(18(28)17(15)27)26-13(20(30)31)6-9-2-4-10(5-3-9)25-19(29)14-11(21)7-24-8-12(14)22/h2-5,7-8,13,23,26H,6H2,1H3,(H,25,29)(H,30,31)/t13-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM208443
PNG
(US9266869, 1)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(C)=O
Show InChI InChI=1S/C22H20N4O4S/c1-14-9-10-30-19(14)22(28)25-18-6-4-5-15(11-18)7-8-16-12-17(13-24-20(16)23)21(27)26-31(2,3)29/h4-6,9-13H,1-3H3,(H2,23,24)(H,25,28)
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US Patent
n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM208475
PNG
(US9266869, 33)
Show SMILES COC(=O)CCCC[S@@](C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1 |r|
Show InChI InChI=1S/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34)/t38-/m1/s1
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111232
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CCCCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C24H24Cl2N4O5/c1-2-3-4-9-28-19-20(22(32)21(19)31)30-17(24(34)35)10-13-5-7-14(8-6-13)29-23(33)18-15(25)11-27-12-16(18)26/h5-8,11-12,17,28,30H,2-4,9-10H2,1H3,(H,29,33)(H,34,35)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111252
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCCCC(F)(F)F)c(=O)c1=O
Show InChI InChI=1S/C23H19Cl2F3N4O5/c24-13-9-29-10-14(25)16(13)21(35)31-12-4-2-11(3-5-12)8-15(22(36)37)32-18-17(19(33)20(18)34)30-7-1-6-23(26,27)28/h2-5,9-10,15,30,32H,1,6-8H2,(H,31,35)(H,36,37)/t15-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111250
PNG
(2-(2-Allylamino-3,4-dioxo-cyclobut-1-enylamino)-3-...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCC=C)c(=O)c1=O
Show InChI InChI=1S/C22H18Cl2N4O5/c1-2-7-26-17-18(20(30)19(17)29)28-15(22(32)33)8-11-3-5-12(6-4-11)27-21(31)16-13(23)9-25-10-14(16)24/h2-6,9-10,15,26,28H,1,7-8H2,(H,27,31)(H,32,33)/t15-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM208481
PNG
(US9266869, 39)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S(C)(=O)CCCO
Show InChI InChI=1S/C24H23N3O5S/c1-17-9-11-32-22(17)24(30)26-21-6-3-5-18(14-21)7-8-19-13-20(16-25-15-19)23(29)27-33(2,31)12-4-10-28/h3,5-6,9,11,13-16,28H,4,10,12H2,1-2H3,(H,26,30)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM208478
PNG
(US9266869, 36)
Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(c1)C(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1S/C29H33N5O6S/c1-29(2,3)23-17-24(33-40-23)32-27(36)21-10-8-9-19(15-21)12-13-20-16-22(18-31-26(20)30)28(37)34-41(5,38)14-7-6-11-25(35)39-4/h8-10,15-18H,6-7,11,14H2,1-5H3,(H2,30,31)(H,32,33,36)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50111236
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CC(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O
Show InChI InChI=1S/C22H20Cl2N4O5/c1-10(2)26-17-18(20(30)19(17)29)28-15(22(32)33)7-11-3-5-12(6-4-11)27-21(31)16-13(23)8-25-9-14(16)24/h3-6,8-10,15,26,28H,7H2,1-2H3,(H,27,31)(H,32,33)/t15-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay


Bioorg Med Chem Lett 12: 1051-4 (2002)


BindingDB Entry DOI: 10.7270/Q24T6HQ1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM208474
PNG
(US9266869, 32)
Show SMILES COC(=O)CCCC[S@](C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1 |r|
Show InChI InChI=1S/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34)/t38-/m0/s1
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50114316
PNG
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)
Show SMILES CCCS(=O)(=O)c1cc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)ncn1
Show InChI InChI=1S/C22H21Cl2N5O5S/c1-2-7-35(33,34)19-9-18(26-12-27-19)29-17(22(31)32)8-13-3-5-14(6-4-13)28-21(30)20-15(23)10-25-11-16(20)24/h3-6,9-12,17H,2,7-8H2,1H3,(H,28,30)(H,31,32)(H,26,27,29)/t17-/m0/s1
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
Inhibition of very late antigen 4 expressed in Jurkat cell line, in a cell-based adhesion assay


Bioorg Med Chem Lett 12: 1595-8 (2002)


BindingDB Entry DOI: 10.7270/Q2028STM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM208465
PNG
(US9266869, 23)
Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1
Show InChI InChI=1S/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM208468
PNG
(US9266869, 26)
Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C29H30N4O5S/c1-20-8-6-10-23(16-20)28(35)32-25-11-7-9-21(17-25)13-14-22-18-24(19-31-27(22)30)29(36)33-39(3,37)15-5-4-12-26(34)38-2/h6-11,16-19H,4-5,12,15H2,1-3H3,(H2,30,31)(H,32,35)
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n/an/a 1n/an/an/an/an/a37



Allergan, Inc.

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium...


US Patent US9266869 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H33
More data for this
Ligand-Target Pair
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