Found 29 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104526
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)s1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104531
(3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...)Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104531
(3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...)Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104529
((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28+,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104530
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)o1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104529
((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28+,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104533
(3-[5-(2-Carboxy-ethyl)-3-((S)-3-methyl-1-{2-[4-(3-...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C30H38N4O7/c1-19(2)16-24(25-18-30(41-34-25,14-12-27(36)37)15-13-28(38)39)32-26(35)17-21-8-10-22(11-9-21)31-29(40)33-23-7-5-4-6-20(23)3/h4-11,19,24H,12-18H2,1-3H3,(H,32,35)(H,36,37)(H,38,39)(H2,31,33,40)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104536
((R)-3-(2,6-Dichloro-benzoylamino)-4-(2',6'-dimetho...)Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C25H23Cl2NO5/c1-32-20-7-4-8-21(33-2)23(20)16-11-9-15(10-12-16)13-17(14-22(29)30)28-25(31)24-18(26)5-3-6-19(24)27/h3-12,17H,13-14H2,1-2H3,(H,28,31)(H,29,30)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104531
(3-[3-((S)-1-{2-[3-Methoxy-4-(3-o-tolyl-ureido)-phe...)Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(O)=O)on2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H34N4O6/c1-17(2)13-23(24-16-20(38-32-24)10-12-27(34)35)29-26(33)15-19-9-11-22(25(14-19)37-4)31-28(36)30-21-8-6-5-7-18(21)3/h5-9,11,14,16-17,23H,10,12-13,15H2,1-4H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104526
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)s1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104527
(3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C27H34N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,17,21,23H,12-16H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t21?,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104534
(3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCC(O)=O)on1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104530
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)o1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104534
(3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCC(O)=O)on1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104533
(3-[5-(2-Carboxy-ethyl)-3-((S)-3-methyl-1-{2-[4-(3-...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C30H38N4O7/c1-19(2)16-24(25-18-30(41-34-25,14-12-27(36)37)15-13-28(38)39)32-26(35)17-21-8-10-22(11-9-21)31-29(40)33-23-7-5-4-6-20(23)3/h4-11,19,24H,12-18H2,1-3H3,(H,32,35)(H,36,37)(H,38,39)(H2,31,33,40)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104527
(3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C27H34N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,17,21,23H,12-16H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t21?,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104529
((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28+,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104536
((R)-3-(2,6-Dichloro-benzoylamino)-4-(2',6'-dimetho...)Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C25H23Cl2NO5/c1-32-20-7-4-8-21(33-2)23(20)16-11-9-15(10-12-16)13-17(14-22(29)30)28-25(31)24-18(26)5-3-6-19(24)27/h3-12,17H,13-14H2,1-2H3,(H,28,31)(H,29,30)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104534
(3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCC(O)=O)on1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104530
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)o1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104526
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CCC(O)=O)s1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-16-21(36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104533
(3-[5-(2-Carboxy-ethyl)-3-((S)-3-methyl-1-{2-[4-(3-...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C30H38N4O7/c1-19(2)16-24(25-18-30(41-34-25,14-12-27(36)37)15-13-28(38)39)32-26(35)17-21-8-10-22(11-9-21)31-29(40)33-23-7-5-4-6-20(23)3/h4-11,19,24H,12-18H2,1-3H3,(H,32,35)(H,36,37)(H,38,39)(H2,31,33,40)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104527
(3-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C1=NOC(CCC(O)=O)C1 |t:28| Show InChI InChI=1S/C27H34N4O5/c1-17(2)14-23(24-16-21(36-31-24)12-13-26(33)34)29-25(32)15-19-8-10-20(11-9-19)28-27(35)30-22-7-5-4-6-18(22)3/h4-11,17,21,23H,12-16H2,1-3H3,(H,29,32)(H,33,34)(H2,28,30,35)/t21?,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 495 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104528
(4-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCCC(O)=O)on1 Show InChI InChI=1S/C28H34N4O5/c1-18(2)15-24(25-17-22(37-32-25)8-6-10-27(34)35)30-26(33)16-20-11-13-21(14-12-20)29-28(36)31-23-9-5-4-7-19(23)3/h4-5,7,9,11-14,17-18,24H,6,8,10,15-16H2,1-3H3,(H,30,33)(H,34,35)(H2,29,31,36)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104535
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1nc(CCC(O)=O)cs1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-21(16-36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104532
(CHEMBL84739 | [2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1nc(CC(O)=O)cs1 Show InChI InChI=1S/C26H30N4O4S/c1-16(2)12-22(25-27-20(15-35-25)14-24(32)33)29-23(31)13-18-8-10-19(11-9-18)28-26(34)30-21-7-5-4-6-17(21)3/h4-11,15-16,22H,12-14H2,1-3H3,(H,29,31)(H,32,33)(H2,28,30,34)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104528
(4-[3-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1cc(CCCC(O)=O)on1 Show InChI InChI=1S/C28H34N4O5/c1-18(2)15-24(25-17-22(37-32-25)8-6-10-27(34)35)30-26(33)16-20-11-13-21(14-12-20)29-28(36)31-23-9-5-4-7-19(23)3/h4-5,7,9,11-14,17-18,24H,6,8,10,15-16H2,1-3H3,(H,30,33)(H,34,35)(H2,29,31,36)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104535
(3-[2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-ureido)-phen...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1nc(CCC(O)=O)cs1 Show InChI InChI=1S/C27H32N4O4S/c1-17(2)14-23(26-28-21(16-36-26)12-13-25(33)34)30-24(32)15-19-8-10-20(11-9-19)29-27(35)31-22-7-5-4-6-18(22)3/h4-11,16-17,23H,12-15H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50104537
(CHEMBL86424 | [2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1ncc(CC(O)=O)s1 Show InChI InChI=1S/C26H30N4O4S/c1-16(2)12-22(25-27-15-20(35-25)14-24(32)33)29-23(31)13-18-8-10-19(11-9-18)28-26(34)30-21-7-5-4-6-17(21)3/h4-11,15-16,22H,12-14H2,1-3H3,(H,29,31)(H,32,33)(H2,28,30,34)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA |
Bioorg Med Chem Lett 11: 2593-6 (2001)
BindingDB Entry DOI: 10.7270/Q2H41SQZ |
More data for this
Ligand-Target Pair | |
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