new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'guthrie' and Initial = 'rw'   
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/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087612
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES Cc1ccc(c(c1)C(=O)Nc1ccc(C[C@H](NC(=O)C2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H28N4O7/c1-18-7-12-24(33(39)40)22(15-18)27(35)30-21-10-8-19(9-11-21)16-23(29(37)38)31-28(36)25-13-14-26(34)32(25)17-20-5-3-2-4-6-20/h2-12,15,23,25H,13-14,16-17H2,1H3,(H,30,35)(H,31,36)(H,37,38)/t23-,25?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.740n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087620
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C29H25F4N3O5/c30-19-8-11-21(22(15-19)29(31,32)33)26(38)34-20-9-6-17(7-10-20)14-23(28(40)41)35-27(39)24-12-13-25(37)36(24)16-18-4-2-1-3-5-18/h1-11,15,23-24H,12-14,16H2,(H,34,38)(H,35,39)(H,40,41)/t23-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.75n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087599
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES COc1ccc(cc1C(=O)Nc1ccc(C[C@H](NC(=O)C2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H28N4O8/c1-41-25-13-11-21(33(39)40)16-22(25)27(35)30-20-9-7-18(8-10-20)15-23(29(37)38)31-28(36)24-12-14-26(34)32(24)17-19-5-3-2-4-6-19/h2-11,13,16,23-24H,12,14-15,17H2,1H3,(H,30,35)(H,31,36)(H,37,38)/t23-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.820n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087629
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2ccccc2[N+]([O-])=O)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O7/c33-25-15-14-24(31(25)17-19-6-2-1-3-7-19)27(35)30-22(28(36)37)16-18-10-12-20(13-11-18)29-26(34)21-8-4-5-9-23(21)32(38)39/h1-13,22,24H,14-17H2,(H,29,34)(H,30,35)(H,36,37)/t22-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.870n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087611
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES COc1ccc(cc1)-c1cccnc1C(=O)Nc1ccc(C[C@H](NC(=O)C2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C34H32N4O6/c1-44-26-15-11-24(12-16-26)27-8-5-19-35-31(27)33(41)36-25-13-9-22(10-14-25)20-28(34(42)43)37-32(40)29-17-18-30(39)38(29)21-23-6-3-2-4-7-23/h2-16,19,28-29H,17-18,20-21H2,1H3,(H,36,41)(H,37,40)(H,42,43)/t28-,29?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.880n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50013923
PNG
(3-(1-Butyl-4-methoxy-naphthalen-2-yl)-N-(1-methyl-...)
Show SMILES CCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)cc(OC)c2ccccc12
Show InChI InChI=1S/C28H34N2O2/c1-4-5-13-24-23(19-27(32-3)26-15-7-6-14-25(24)26)16-17-28(31)30-21(2)10-8-11-22-12-9-18-29-20-22/h6-7,9,12,14-21H,4-5,8,10-11,13H2,1-3H3,(H,30,31)/b17-16+/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087605
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc23)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C31H28N4O5/c36-28-15-14-27(35(28)19-21-6-2-1-3-7-21)30(38)34-26(31(39)40)18-20-10-12-22(13-11-20)33-29(37)24-16-17-32-25-9-5-4-8-23(24)25/h1-13,16-17,26-27H,14-15,18-19H2,(H,33,37)(H,34,38)(H,39,40)/t26-,27?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087600
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C28H24F3N3O5/c29-20-14-22(31)21(30)13-19(20)26(36)32-18-8-6-16(7-9-18)12-23(28(38)39)33-27(37)24-10-11-25(35)34(24)15-17-4-2-1-3-5-17/h1-9,13-14,23-24H,10-12,15H2,(H,32,36)(H,33,37)(H,38,39)/t23-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018350
PNG
(5-(4-Methoxy-phenyl)-5-phenyl-penta-2,4-dienoic ac...)
Show SMILES COc1ccc(cc1)C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)\c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h3-5,7-8,11-22H,6,9-10H2,1-2H3,(H,30,31)/b15-7+,27-14+/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018388
PNG
(5,5-Bis-(3-methoxy-phenyl)-penta-2,4-dienoic acid ...)
Show SMILES [#6]-[#8]-c1cccc(c1)-[#6](=[#6]\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-c1cccnc1)\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C28H30N2O3/c1-32-25-13-5-11-23(19-25)27(24-12-6-14-26(20-24)33-2)15-7-16-28(31)30-18-4-3-9-22-10-8-17-29-21-22/h5-8,10-17,19-21H,3-4,9,18H2,1-2H3,(H,30,31)/b16-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087598
PNG
(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O7/c33-25-15-14-24(31(25)17-19-4-2-1-3-5-19)27(35)30-23(28(36)37)16-18-6-10-21(11-7-18)29-26(34)20-8-12-22(13-9-20)32(38)39/h1-13,23-24H,14-17H2,(H,29,34)(H,30,35)(H,36,37)/t23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 binding to recombinant human VCAM by ramos cell assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087604
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES Cc1ccc(C(=O)Nc2ccc(C[C@H](NC(=O)C3CCC(=O)N3Cc3ccccc3)C(O)=O)cc2)c(Cl)n1
Show InChI InChI=1S/C28H27ClN4O5/c1-17-7-12-21(25(29)30-17)26(35)31-20-10-8-18(9-11-20)15-22(28(37)38)32-27(36)23-13-14-24(34)33(23)16-19-5-3-2-4-6-19/h2-12,22-23H,13-16H2,1H3,(H,31,35)(H,32,36)(H,37,38)/t22-,23?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087596
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES COc1ccc(C(=O)Nc2ccc(C[C@H](NC(=O)C3CCC(=O)N3Cc3ccccc3)C(O)=O)cc2)c(OC)n1
Show InChI InChI=1S/C29H30N4O7/c1-39-24-14-12-21(28(32-24)40-2)26(35)30-20-10-8-18(9-11-20)16-22(29(37)38)31-27(36)23-13-15-25(34)33(23)17-19-6-4-3-5-7-19/h3-12,14,22-23H,13,15-17H2,1-2H3,(H,30,35)(H,31,36)(H,37,38)/t22-,23?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 binding to recombinant human VCAM by ramos cell assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50013924
PNG
(3-(1-Butyl-4,7-dimethoxy-naphthalen-2-yl)-N-(1-met...)
Show SMILES CCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)cc(OC)c2ccc(OC)cc12
Show InChI InChI=1S/C29H36N2O3/c1-5-6-12-25-23(18-28(34-4)26-15-14-24(33-3)19-27(25)26)13-16-29(32)31-21(2)9-7-10-22-11-8-17-30-20-22/h8,11,13-21H,5-7,9-10,12H2,1-4H3,(H,31,32)/b16-13+/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087607
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2ccccn2)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C27H26N4O5/c32-24-14-13-23(31(24)17-19-6-2-1-3-7-19)26(34)30-22(27(35)36)16-18-9-11-20(12-10-18)29-25(33)21-8-4-5-15-28-21/h1-12,15,22-23H,13-14,16-17H2,(H,29,33)(H,30,34)(H,35,36)/t22-,23?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087608
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2ccc[nH]c2=O)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C27H26N4O6/c32-23-13-12-22(31(23)16-18-5-2-1-3-6-18)26(35)30-21(27(36)37)15-17-8-10-19(11-9-17)29-25(34)20-7-4-14-28-24(20)33/h1-11,14,21-22H,12-13,15-16H2,(H,28,33)(H,29,34)(H,30,35)(H,36,37)/t21-,22?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018392
PNG
(5-(4-Methoxy-phenyl)-5-phenyl-penta-2,4-dienoic ac...)
Show SMILES COc1ccc(cc1)C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)\c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h3-5,7-8,11-22H,6,9-10H2,1-2H3,(H,30,31)/b15-7+,27-14-/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to dog platelets.


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087623
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2cccc(c2)C#N)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C29H26N4O5/c30-17-21-7-4-8-22(15-21)27(35)31-23-11-9-19(10-12-23)16-24(29(37)38)32-28(36)25-13-14-26(34)33(25)18-20-5-2-1-3-6-20/h1-12,15,24-25H,13-14,16,18H2,(H,31,35)(H,32,36)(H,37,38)/t24-,25?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018390
PNG
(5-(4-Methoxy-phenyl)-trideca-2,4-dienoic acid (1-m...)
Show SMILES CCCCCCCC\C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H42N2O2/c1-4-5-6-7-8-9-16-27(28-19-21-29(34-3)22-20-28)17-11-18-30(33)32-25(2)13-10-14-26-15-12-23-31-24-26/h11-12,15,17-25H,4-10,13-14,16H2,1-3H3,(H,32,33)/b18-11+,27-17+/t25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to dog platelets.


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087624
PNG
(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Show SMILES CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C32H34N4O7/c1-20(37)33-26(17-22-9-13-25(38)14-10-22)30(40)34-24-11-7-21(8-12-24)18-27(32(42)43)35-31(41)28-15-16-29(39)36(28)19-23-5-3-2-4-6-23/h2-14,26-28,38H,15-19H2,1H3,(H,33,37)(H,34,40)(H,35,41)(H,42,43)/t26-,27+,28+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 binding to recombinant human VCAM by ramos cell assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50013921
PNG
(3-(1-Butyl-5-methoxy-naphthalen-2-yl)-N-(1-methyl-...)
Show SMILES CCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)ccc2c(OC)cccc12
Show InChI InChI=1S/C28H34N2O2/c1-4-5-12-24-23(15-17-26-25(24)13-7-14-27(26)32-3)16-18-28(31)30-21(2)9-6-10-22-11-8-19-29-20-22/h7-8,11,13-21H,4-6,9-10,12H2,1-3H3,(H,30,31)/b18-16+/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087615
PNG
(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C28H27N3O5/c32-25-16-15-24(31(25)18-20-7-3-1-4-8-20)27(34)30-23(28(35)36)17-19-11-13-22(14-12-19)29-26(33)21-9-5-2-6-10-21/h1-14,23-24H,15-18H2,(H,29,33)(H,30,34)(H,35,36)/t23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 binding to recombinant human VCAM by ramos cell assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50013925
PNG
(3-(1-Butyl-6-methoxy-naphthalen-2-yl)-N-(1-methyl-...)
Show SMILES CCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)ccc2cc(OC)ccc12
Show InChI InChI=1S/C28H34N2O2/c1-4-5-11-26-23(12-13-24-19-25(32-3)15-16-27(24)26)14-17-28(31)30-21(2)8-6-9-22-10-7-18-29-20-22/h7,10,12-21H,4-6,8-9,11H2,1-3H3,(H,30,31)/b17-14+/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087628
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+]([O-])=O)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C28H25ClN4O7/c29-19-8-11-21(24(15-19)33(39)40)26(35)30-20-9-6-17(7-10-20)14-22(28(37)38)31-27(36)23-12-13-25(34)32(23)16-18-4-2-1-3-5-18/h1-11,15,22-23H,12-14,16H2,(H,30,35)(H,31,36)(H,37,38)/t22-,23?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087609
PNG
(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C32H34N4O7/c1-20(37)33-26(17-22-9-13-25(38)14-10-22)30(40)34-24-11-7-21(8-12-24)18-27(32(42)43)35-31(41)28-15-16-29(39)36(28)19-23-5-3-2-4-6-23/h2-14,26-28,38H,15-19H2,1H3,(H,33,37)(H,34,40)(H,35,41)(H,42,43)/t26-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018361
PNG
(5-(4-Methoxy-phenyl)-undeca-2,4-dienoic acid (1-me...)
Show SMILES CCCCCC\C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-7-14-25(26-17-19-27(32-3)20-18-26)15-9-16-28(31)30-23(2)11-8-12-24-13-10-21-29-22-24/h9-10,13,15-23H,4-8,11-12,14H2,1-3H3,(H,30,31)/b16-9+,25-15+/t23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to dog platelets.


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018349
PNG
(5-(4-Methoxy-phenyl)-deca-2,4-dienoic acid (1-meth...)
Show SMILES CCCCC\C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1
Show InChI InChI=1S/C27H36N2O2/c1-4-5-6-13-24(25-16-18-26(31-3)19-17-25)14-8-15-27(30)29-22(2)10-7-11-23-12-9-20-28-21-23/h8-9,12,14-22H,4-7,10-11,13H2,1-3H3,(H,29,30)/b15-8+,24-14-/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018347
PNG
(5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid ...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=[#6]\[#6]=[#6]\[#6](=O)-[#7]-c1ccc(cc1)-c1cccnc1)\c1ccc(-[#8]-[#6])cc1
Show InChI InChI=1S/C30H26N2O3/c1-34-27-16-10-23(11-17-27)29(24-12-18-28(35-2)19-13-24)6-3-7-30(33)32-26-14-8-22(9-15-26)25-5-4-20-31-21-25/h3-21H,1-2H3,(H,32,33)/b7-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087595
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(C[C@H](NC(=O)C2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H28N4O7/c1-18-7-12-22(33(39)40)16-23(18)27(35)30-21-10-8-19(9-11-21)15-24(29(37)38)31-28(36)25-13-14-26(34)32(25)17-20-5-3-2-4-6-20/h2-12,16,24-25H,13-15,17H2,1H3,(H,30,35)(H,31,36)(H,37,38)/t24-,25?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 11n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087594
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C28H25Cl2N3O5/c29-20-7-4-8-21(30)25(20)27(36)31-19-11-9-17(10-12-19)15-22(28(37)38)32-26(35)23-13-14-24(34)33(23)16-18-5-2-1-3-6-18/h1-12,22-23H,13-16H2,(H,31,36)(H,32,35)(H,37,38)/t22-,23?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087594
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C28H25Cl2N3O5/c29-20-7-4-8-21(30)25(20)27(36)31-19-11-9-17(10-12-19)15-22(28(37)38)32-26(35)23-13-14-24(34)33(23)16-18-5-2-1-3-6-18/h1-12,22-23H,13-16H2,(H,31,36)(H,32,35)(H,37,38)/t22-,23?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018393
PNG
(5-(4-Methoxy-phenyl)-nona-2,4-dienoic acid (1-meth...)
Show SMILES CCCC\C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1
Show InChI InChI=1S/C26H34N2O2/c1-4-5-12-23(24-15-17-25(30-3)18-16-24)13-7-14-26(29)28-21(2)9-6-10-22-11-8-19-27-20-22/h7-8,11,13-21H,4-6,9-10,12H2,1-3H3,(H,28,29)/b14-7+,23-13+/t21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 14n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50013922
PNG
(3-(1-Butyl-7-methoxy-naphthalen-2-yl)-N-(1-methyl-...)
Show SMILES CCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)ccc2ccc(OC)cc12
Show InChI InChI=1S/C28H34N2O2/c1-4-5-11-26-23(12-13-24-14-16-25(32-3)19-27(24)26)15-17-28(31)30-21(2)8-6-9-22-10-7-18-29-20-22/h7,10,12-21H,4-6,8-9,11H2,1-3H3,(H,30,31)/b17-15+/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087597
PNG
(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Show SMILES OC(=O)[C@H](Cc1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C27H26N4O8S/c32-25-15-14-24(30(25)17-19-4-2-1-3-5-19)26(33)28-23(27(34)35)16-18-6-8-20(9-7-18)29-40(38,39)22-12-10-21(11-13-22)31(36)37/h1-13,23-24,29H,14-17H2,(H,28,33)(H,34,35)/t23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087602
PNG
(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C28H27N3O7/c32-26-15-14-25(30(26)17-20-4-2-1-3-5-20)27(33)29-24(28(34)35)16-19-8-12-23(13-9-19)38-18-21-6-10-22(11-7-21)31(36)37/h1-13,24-25H,14-18H2,(H,29,33)(H,34,35)/t24-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 18n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087617
PNG
(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Show SMILES OC(=O)[C@H](Cc1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C28H26F3N3O6S/c29-28(30,31)20-7-4-8-22(16-20)41(39,40)33-21-11-9-18(10-12-21)15-23(27(37)38)32-26(36)24-13-14-25(35)34(24)17-19-5-2-1-3-6-19/h1-12,16,23-24,33H,13-15,17H2,(H,32,36)(H,37,38)/t23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018368
PNG
(5-Cyclohexyl-5-(4-methoxy-phenyl)-penta-2,4-dienoi...)
Show SMILES COc1ccc(cc1)C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)\C1CCCCC1
Show InChI InChI=1S/C28H36N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h7-8,11,14-22,24H,3-6,9-10,12-13H2,1-2H3,(H,30,31)/b15-7+,27-14-/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018371
PNG
(5,5-Bis-(3-fluoro-phenyl)-penta-2,4-dienoic acid (...)
Show SMILES Fc1cccc(c1)-[#6](=[#6]/[#6]=[#6]/[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-c1cccnc1)\c1cccc(F)c1
Show InChI InChI=1S/C26H24F2N2O/c27-23-11-3-9-21(17-23)25(22-10-4-12-24(28)18-22)13-5-14-26(31)30-16-2-1-7-20-8-6-15-29-19-20/h3-6,8-15,17-19H,1-2,7,16H2,(H,30,31)/b14-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087601
PNG
(2-[1-benzyl-2-oxo-(5S)-dihydro-1H-5-pyrrolylcarbox...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C33H36N4O7/c1-21(38)35-27(17-23-11-13-26(39)14-12-23)31(41)34-19-24-9-7-22(8-10-24)18-28(33(43)44)36-32(42)29-15-16-30(40)37(29)20-25-5-3-2-4-6-25/h2-14,27-29,39H,15-20H2,1H3,(H,34,41)(H,35,38)(H,36,42)(H,43,44)/t27-,28-,29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018372
PNG
(5-Cyclohexyl-5-(4-methoxy-phenyl)-penta-2,4-dienoi...)
Show SMILES COc1ccc(cc1)C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)\C1CCCCC1
Show InChI InChI=1S/C28H36N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h7-8,11,14-22,24H,3-6,9-10,12-13H2,1-2H3,(H,30,31)/b15-7+,27-14+/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50013929
PNG
(3-(6-Methoxy-3-pentyl-benzo[b]thiophen-2-yl)-N-(1-...)
Show SMILES CCCCCc1c(\C=C\C(=O)N[C@@H](C)CCCc2cccnc2)sc2cc(OC)ccc12
Show InChI InChI=1S/C27H34N2O2S/c1-4-5-6-12-23-24-14-13-22(31-3)18-26(24)32-25(23)15-16-27(30)29-20(2)9-7-10-21-11-8-17-28-19-21/h8,11,13-20H,4-7,9-10,12H2,1-3H3,(H,29,30)/b16-15+/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 24n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018376
PNG
(5,5-Bis-(3-chloro-phenyl)-penta-2,4-dienoic acid (...)
Show SMILES Clc1cccc(c1)-[#6](=[#6]/[#6]=[#6]/[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-c1cccnc1)\c1cccc(Cl)c1
Show InChI InChI=1S/C26H24Cl2N2O/c27-23-11-3-9-21(17-23)25(22-10-4-12-24(28)18-22)13-5-14-26(31)30-16-2-1-7-20-8-6-15-29-19-20/h3-6,8-15,17-19H,1-2,7,16H2,(H,30,31)/b14-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018380
PNG
(5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid ...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=[#6]/[#6]=[#6]/[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-c1cccnc1)\c1ccc(-[#8]-[#6])cc1
Show InChI InChI=1S/C28H30N2O3/c1-32-25-15-11-23(12-16-25)27(24-13-17-26(33-2)18-14-24)9-5-10-28(31)30-20-4-3-7-22-8-6-19-29-21-22/h5-6,8-19,21H,3-4,7,20H2,1-2H3,(H,30,31)/b10-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018356
PNG
(5-(3-Fluoro-phenyl)-5-(3-methoxy-phenyl)-penta-2,4...)
Show SMILES COc1cccc(c1)C(=C/C=C/C(=O)NCCCCc1cccnc1)\c1cccc(F)c1
Show InChI InChI=1S/C27H27FN2O2/c1-32-25-13-5-11-23(19-25)26(22-10-4-12-24(28)18-22)14-6-15-27(31)30-17-3-2-8-21-9-7-16-29-20-21/h4-7,9-16,18-20H,2-3,8,17H2,1H3,(H,30,31)/b15-6+,26-14-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018379
PNG
(5-(4-Methoxy-phenyl)-hexa-2,4-dienoic acid (1-meth...)
Show SMILES COc1ccc(cc1)C(\C)=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1
Show InChI InChI=1S/C23H28N2O2/c1-18(21-12-14-22(27-3)15-13-21)7-4-11-23(26)25-19(2)8-5-9-20-10-6-16-24-17-20/h4,6-7,10-17,19H,5,8-9H2,1-3H3,(H,25,26)/b11-4+,18-7+/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to dog platelets.


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50013926
PNG
(CHEMBL319384 | N-(1-Ethyl-4-pyridin-3-yl-butyl)-3-...)
Show SMILES CCCCCc1c(\C=C\C(=O)N[C@@H](CC)CCCc2cccnc2)n(C)c2cc(OC)ccc12
Show InChI InChI=1S/C29H39N3O2/c1-5-7-8-14-25-26-16-15-24(34-4)20-28(26)32(3)27(25)17-18-29(33)31-23(6-2)13-9-11-22-12-10-19-30-21-22/h10,12,15-21,23H,5-9,11,13-14H2,1-4H3,(H,31,33)/b18-17+/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 26n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to platelet activating factor receptor citrate-treated dog blood


J Med Chem 33: 2856-64 (1990)


BindingDB Entry DOI: 10.7270/Q21V5CZJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087620
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1)NC(=O)C1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C29H25F4N3O5/c30-19-8-11-21(22(15-19)29(31,32)33)26(38)34-20-9-6-17(7-10-20)14-23(28(40)41)35-27(39)24-12-13-25(37)36(24)16-18-4-2-1-3-5-18/h1-11,15,23-24H,12-14,16H2,(H,34,38)(H,35,39)(H,40,41)/t23-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 28n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay


Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50087599
PNG
((S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-ami...)
Show SMILES COc1ccc(cc1C(=O)Nc1ccc(C[C@H](NC(=O)C2CCC(=O)N2Cc2ccccc2)C(O)=O)cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H28N4O8/c1-41-25-13-11-21(33(39)40)16-22(25)27(35)30-20-9-7-18(8-10-20)15-23(29(37)38)31-28(36)24-12-14-26(34)32(24)17-19-5-3-2-4-6-19/h2-11,13,16,23-24H,12,14-15,17H2,1H3,(H,30,35)(H,31,36)(H,37,38)/t23-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 28n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 10: 729-33 (2000)


BindingDB Entry DOI: 10.7270/Q2125TXJ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018395
PNG
(5-(4-Methoxy-phenyl)-penta-2,4-dienoic acid (1-met...)
Show SMILES COc1ccc(\C=C\C=C\C(=O)N[C@H](C)CCCc2cccnc2)cc1
Show InChI InChI=1S/C22H26N2O2/c1-18(7-5-9-20-10-6-16-23-17-20)24-22(25)11-4-3-8-19-12-14-21(26-2)15-13-19/h3-4,6,8,10-18H,5,7,9H2,1-2H3,(H,24,25)/b8-3+,11-4+/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM50018384
PNG
(5-(4-Methoxy-phenyl)-hepta-2,4-dienoic acid (1-met...)
Show SMILES CC\C(=C/C=C/C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1
Show InChI InChI=1S/C24H30N2O2/c1-4-21(22-13-15-23(28-3)16-14-22)11-6-12-24(27)26-19(2)8-5-9-20-10-7-17-25-18-20/h6-7,10-19H,4-5,8-9H2,1-3H3,(H,26,27)/b12-6+,21-11+/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PAF binding to dog platelets.


J Med Chem 32: 1820-35 (1989)


BindingDB Entry DOI: 10.7270/Q2NZ86MR
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 126 total )  |  Next  |  Last  >>
Jump to: