Found 36 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)) | BDBM50114291
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114276
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114276
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114291
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114292
(1-[4-((S)-1-Carboxy-2-{4-[(3,5-dichloro-pyridine-4...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C25H25Cl2N7O6/c1-40-25-32-23(31-24(33-25)34-8-6-14(7-9-34)21(36)37)30-18(22(38)39)10-13-2-4-15(5-3-13)29-20(35)19-16(26)11-28-12-17(19)27/h2-5,11-12,14,18H,6-10H2,1H3,(H,29,35)(H,36,37)(H,38,39)(H,30,31,32,33)/t18-/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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114277
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(NCCO)nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)n1 Show InChI InChI=1S/C21H21Cl2N7O5/c1-35-21-29-19(25-6-7-31)28-20(30-21)27-15(18(33)34)8-11-2-4-12(5-3-11)26-17(32)16-13(22)9-24-10-14(16)23/h2-5,9-10,15,31H,6-8H2,1H3,(H,26,32)(H,33,34)(H2,25,27,28,29,30)/t15-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114280
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C20H18Cl2N6O5/c1-32-19-26-18(27-20(28-19)33-2)25-14(17(30)31)7-10-3-5-11(6-4-10)24-16(29)15-12(21)8-23-9-13(15)22/h3-6,8-9,14H,7H2,1-2H3,(H,24,29)(H,30,31)(H,25,26,27,28)/t14-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114289
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(n1)N1CCOCC1 Show InChI InChI=1S/C23H23Cl2N7O5/c1-36-23-30-21(29-22(31-23)32-6-8-37-9-7-32)28-17(20(34)35)10-13-2-4-14(5-3-13)27-19(33)18-15(24)11-26-12-16(18)25/h2-5,11-12,17H,6-10H2,1H3,(H,27,33)(H,34,35)(H,28,29,30,31)/t17-/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114288
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(n1)N(C)C Show InChI InChI=1S/C21H21Cl2N7O4/c1-30(2)20-27-19(28-21(29-20)34-3)26-15(18(32)33)8-11-4-6-12(7-5-11)25-17(31)16-13(22)9-24-10-14(16)23/h4-7,9-10,15H,8H2,1-3H3,(H,25,31)(H,32,33)(H,26,27,28,29)/t15-/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 |
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)) | BDBM50114278
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(n1)N1CCNCC1 Show InChI InChI=1S/C23H24Cl2N8O4/c1-37-23-31-21(30-22(32-23)33-8-6-26-7-9-33)29-17(20(35)36)10-13-2-4-14(5-3-13)28-19(34)18-15(24)11-27-12-16(18)25/h2-5,11-12,17,26H,6-10H2,1H3,(H,28,34)(H,35,36)(H,29,30,31,32)/t17-/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114284
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCNc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C22H23Cl2N7O4/c1-3-8-26-20-29-21(31-22(30-20)35-2)28-16(19(33)34)9-12-4-6-13(7-5-12)27-18(32)17-14(23)10-25-11-15(17)24/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,27,32)(H,33,34)(H2,26,28,29,30,31)/t16-/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114283
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(Oc2ccccc2)n1 Show InChI InChI=1S/C25H20Cl2N6O5/c1-37-24-31-23(32-25(33-24)38-16-5-3-2-4-6-16)30-19(22(35)36)11-14-7-9-15(10-8-14)29-21(34)20-17(26)12-28-13-18(20)27/h2-10,12-13,19H,11H2,1H3,(H,29,34)(H,35,36)(H,30,31,32,33)/t19-/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114294
((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(4,...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C21H19Cl2N5O5/c1-32-20-26-19(27-21(28-20)33-2)25-15(18(30)31)10-11-6-8-12(9-7-11)24-17(29)16-13(22)4-3-5-14(16)23/h3-9,15H,10H2,1-2H3,(H,24,29)(H,30,31)(H,25,26,27,28)/t15-/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114279
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCOc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C22H22Cl2N6O5/c1-3-8-35-22-29-20(28-21(30-22)34-2)27-16(19(32)33)9-12-4-6-13(7-5-12)26-18(31)17-14(23)10-25-11-15(17)24/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,26,31)(H,32,33)(H,27,28,29,30)/t16-/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 | 45 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114290
((S)-2-(4,6-Dimethoxy-[1,3,5]triazin-2-ylamino)-3-[...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(F)cccc3C(F)(F)F)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C22H19F4N5O5/c1-35-20-29-19(30-21(31-20)36-2)28-15(18(33)34)10-11-6-8-12(9-7-11)27-17(32)16-13(22(24,25)26)4-3-5-14(16)23/h3-9,15H,10H2,1-2H3,(H,27,32)(H,33,34)(H,28,29,30,31)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114281
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCOc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OCCC)n1 Show InChI InChI=1S/C24H26Cl2N6O5/c1-3-9-36-23-30-22(31-24(32-23)37-10-4-2)29-18(21(34)35)11-14-5-7-15(8-6-14)28-20(33)19-16(25)12-27-13-17(19)26/h5-8,12-13,18H,3-4,9-11H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,31,32)/t18-/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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114285
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCN(CC)c1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C23H25Cl2N7O4/c1-4-32(5-2)22-29-21(30-23(31-22)36-3)28-17(20(34)35)10-13-6-8-14(9-7-13)27-19(33)18-15(24)11-26-12-16(18)25/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,27,33)(H,34,35)(H,28,29,30,31)/t17-/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114287
((S)-2-(6-Chloro-pyrimidin-4-ylamino)-3-{4-[(3,5-di...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1cc(Cl)ncn1 Show InChI InChI=1S/C19H14Cl3N5O3/c20-12-7-23-8-13(21)17(12)18(28)26-11-3-1-10(2-4-11)5-14(19(29)30)27-16-6-15(22)24-9-25-16/h1-4,6-9,14H,5H2,(H,26,28)(H,29,30)(H,24,25,27)/t14-/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 | 80 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114292
(1-[4-((S)-1-Carboxy-2-{4-[(3,5-dichloro-pyridine-4...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(n1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C25H25Cl2N7O6/c1-40-25-32-23(31-24(33-25)34-8-6-14(7-9-34)21(36)37)30-18(22(38)39)10-13-2-4-15(5-3-13)29-20(35)19-16(26)11-28-12-17(19)27/h2-5,11-12,14,18H,6-10H2,1H3,(H,29,35)(H,36,37)(H,38,39)(H,30,31,32,33)/t18-/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 | 240 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114282
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1ccc(cn1)[N+]([O-])=O Show InChI InChI=1S/C20H15Cl2N5O5/c21-14-9-23-10-15(22)18(14)19(28)25-12-3-1-11(2-4-12)7-16(20(29)30)26-17-6-5-13(8-24-17)27(31)32/h1-6,8-10,16H,7H2,(H,24,26)(H,25,28)(H,29,30)/t16-/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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114279
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCOc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C22H22Cl2N6O5/c1-3-8-35-22-29-20(28-21(30-22)34-2)27-16(19(32)33)9-12-4-6-13(7-5-12)26-18(31)17-14(23)10-25-11-15(17)24/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,26,31)(H,32,33)(H,27,28,29,30)/t16-/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 | 300 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114277
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(NCCO)nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)n1 Show InChI InChI=1S/C21H21Cl2N7O5/c1-35-21-29-19(25-6-7-31)28-20(30-21)27-15(18(33)34)8-11-2-4-12(5-3-11)26-17(32)16-13(22)9-24-10-14(16)23/h2-5,9-10,15,31H,6-8H2,1H3,(H,26,32)(H,33,34)(H2,25,27,28,29,30)/t15-/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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114283
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(Oc2ccccc2)n1 Show InChI InChI=1S/C25H20Cl2N6O5/c1-37-24-31-23(32-25(33-24)38-16-5-3-2-4-6-16)30-19(22(35)36)11-14-7-9-15(10-8-14)29-21(34)20-17(26)12-28-13-18(20)27/h2-10,12-13,19H,11H2,1H3,(H,29,34)(H,35,36)(H,30,31,32,33)/t19-/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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114289
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(n1)N1CCOCC1 Show InChI InChI=1S/C23H23Cl2N7O5/c1-36-23-30-21(29-22(31-23)32-6-8-37-9-7-32)28-17(20(34)35)10-13-2-4-14(5-3-13)27-19(33)18-15(24)11-26-12-16(18)25/h2-5,11-12,17H,6-10H2,1H3,(H,27,33)(H,34,35)(H,28,29,30,31)/t17-/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 | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114288
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(n1)N(C)C Show InChI InChI=1S/C21H21Cl2N7O4/c1-30(2)20-27-19(28-21(29-20)34-3)26-15(18(32)33)8-11-4-6-12(7-5-11)25-17(31)16-13(22)9-24-10-14(16)23/h4-7,9-10,15H,8H2,1-3H3,(H,25,31)(H,32,33)(H,26,27,28,29)/t15-/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 | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114284
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCNc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C22H23Cl2N7O4/c1-3-8-26-20-29-21(31-22(30-20)35-2)28-16(19(33)34)9-12-4-6-13(7-5-12)27-18(32)17-14(23)10-25-11-15(17)24/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,27,32)(H,33,34)(H2,26,28,29,30,31)/t16-/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 | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114281
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCOc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OCCC)n1 Show InChI InChI=1S/C24H26Cl2N6O5/c1-3-9-36-23-30-22(31-24(32-23)37-10-4-2)29-18(21(34)35)11-14-5-7-15(8-6-14)28-20(33)19-16(25)12-27-13-17(19)26/h5-8,12-13,18H,3-4,9-11H2,1-2H3,(H,28,33)(H,34,35)(H,29,30,31,32)/t18-/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 | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114280
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C20H18Cl2N6O5/c1-32-19-26-18(27-20(28-19)33-2)25-14(17(30)31)7-10-3-5-11(6-4-10)24-16(29)15-12(21)8-23-9-13(15)22/h3-6,8-9,14H,7H2,1-2H3,(H,24,29)(H,30,31)(H,25,26,27,28)/t14-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114278
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(n1)N1CCNCC1 Show InChI InChI=1S/C23H24Cl2N8O4/c1-37-23-31-21(30-22(32-23)33-8-6-26-7-9-33)29-17(20(35)36)10-13-2-4-14(5-3-13)28-19(34)18-15(24)11-27-12-16(18)25/h2-5,11-12,17,26H,6-10H2,1H3,(H,28,34)(H,35,36)(H,29,30,31,32)/t17-/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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50114293
((S)-3-[4-(2,6-Dichloro-benzyloxy)-phenyl]-2-(4,6-d...)Show SMILES COc1nc(N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C21H20Cl2N4O5/c1-30-20-25-19(26-21(27-20)31-2)24-17(18(28)29)10-12-6-8-13(9-7-12)32-11-14-15(22)4-3-5-16(14)23/h3-9,17H,10-11H2,1-2H3,(H,28,29)(H,24,25,26,27)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114285
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCN(CC)c1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C23H25Cl2N7O4/c1-4-32(5-2)22-29-21(30-23(31-22)36-3)28-17(20(34)35)10-13-6-8-14(9-7-13)27-19(33)18-15(24)11-26-12-16(18)25/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,27,33)(H,34,35)(H,28,29,30,31)/t17-/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 | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114287
((S)-2-(6-Chloro-pyrimidin-4-ylamino)-3-{4-[(3,5-di...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1cc(Cl)ncn1 Show InChI InChI=1S/C19H14Cl3N5O3/c20-12-7-23-8-13(21)17(12)18(28)26-11-3-1-10(2-4-11)5-14(19(29)30)27-16-6-15(22)24-9-25-16/h1-4,6-9,14H,5H2,(H,26,28)(H,29,30)(H,24,25,27)/t14-/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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114282
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1ccc(cn1)[N+]([O-])=O Show InChI InChI=1S/C20H15Cl2N5O5/c21-14-9-23-10-15(22)18(14)19(28)25-12-3-1-11(2-4-12)7-16(20(29)30)26-17-6-5-13(8-24-17)27(31)32/h1-6,8-10,16H,7H2,(H,24,26)(H,25,28)(H,29,30)/t16-/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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114294
((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(4,...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C21H19Cl2N5O5/c1-32-20-26-19(27-21(28-20)33-2)25-15(18(30)31)10-11-6-8-12(9-7-11)24-17(29)16-13(22)4-3-5-14(16)23/h3-9,15H,10H2,1-2H3,(H,24,29)(H,30,31)(H,25,26,27,28)/t15-/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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114290
((S)-2-(4,6-Dimethoxy-[1,3,5]triazin-2-ylamino)-3-[...)Show SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(F)cccc3C(F)(F)F)cc2)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C22H19F4N5O5/c1-35-20-29-19(30-21(31-20)36-2)28-15(18(33)34)10-11-6-8-12(9-7-11)27-17(32)16-13(22(24,25)26)4-3-5-14(16)23/h3-9,15H,10H2,1-2H3,(H,27,32)(H,33,34)(H,28,29,30,31)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114286
((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-methy...)Show SMILES COc1nc(N[C@@H](Cc2ccc(cc2)N(C)C(=O)c2c(Cl)cncc2Cl)C(O)=O)nc(OC)n1 Show InChI InChI=1S/C21H20Cl2N6O5/c1-29(17(30)16-13(22)9-24-10-14(16)23)12-6-4-11(5-7-12)8-15(18(31)32)25-19-26-20(33-2)28-21(27-19)34-3/h4-7,9-10,15H,8H2,1-3H3,(H,31,32)(H,25,26,27,28)/t15-/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 | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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