Found 31 hits with Last Name = 'arai' and Initial = 'e' 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
(Homo sapiens (Human)) | BDBM50231424
((S)-3-(4-(4-(2,6-dicyanophenyl)piperazin-1-yl)phen...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1c(cccc1C#N)C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H32N6O5S/c33-21-24-6-4-7-25(22-34)30(24)37-18-16-36(17-19-37)26-13-11-23(12-14-26)20-28(32(40)41)35-31(39)29-10-5-15-38(29)44(42,43)27-8-2-1-3-9-27/h1-4,6-9,11-14,28-29H,5,10,15-20H2,(H,35,39)(H,40,41)/t28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231422
((S)-2-((R)-1-(3,5-dichlorophenylsulfonyl)pyrrolidi...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H32Cl2N4O5S/c31-22-18-23(32)20-26(19-22)42(40,41)36-12-4-7-28(36)29(37)33-27(30(38)39)17-21-8-10-25(11-9-21)35-15-13-34(14-16-35)24-5-2-1-3-6-24/h1-3,5-6,8-11,18-20,27-28H,4,7,12-17H2,(H,33,37)(H,38,39)/t27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231417
((S)-4-((1-carboxy-2-(4-(4-phenylpiperazin-1-yl)phe...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(Cl)cc(cc1Cl)C(O)=O Show InChI InChI=1S/C27H25Cl2N3O5/c28-21-15-18(26(34)35)16-22(29)24(21)25(33)30-23(27(36)37)14-17-6-8-20(9-7-17)32-12-10-31(11-13-32)19-4-2-1-3-5-19/h1-9,15-16,23H,10-14H2,(H,30,33)(H,34,35)(H,36,37)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231430
((S)-3-(4-(4-(5-acetylthiophen-2-yl)piperazin-1-yl)...)Show SMILES CC(=O)c1ccc(s1)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C30H34N4O6S2/c1-21(35)27-13-14-28(41-27)33-18-16-32(17-19-33)23-11-9-22(10-12-23)20-25(30(37)38)31-29(36)26-8-5-15-34(26)42(39,40)24-6-3-2-4-7-24/h2-4,6-7,9-14,25-26H,5,8,15-20H2,1H3,(H,31,36)(H,37,38)/t25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231413
((S)-3-(4-(4-(2-cyanophenyl)piperazin-1-yl)phenyl)-...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H33N5O5S/c32-22-24-7-4-5-10-28(24)35-19-17-34(18-20-35)25-14-12-23(13-15-25)21-27(31(38)39)33-30(37)29-11-6-16-36(29)42(40,41)26-8-2-1-3-9-26/h1-5,7-10,12-15,27,29H,6,11,16-21H2,(H,33,37)(H,38,39)/t27-,29-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231419
((S)-3-(4-(4-(2-nitrophenyl)piperazin-1-yl)phenyl)-...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1[N+]([O-])=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H33N5O7S/c36-29(28-11-6-16-34(28)43(41,42)24-7-2-1-3-8-24)31-25(30(37)38)21-22-12-14-23(15-13-22)32-17-19-33(20-18-32)26-9-4-5-10-27(26)35(39)40/h1-5,7-10,12-15,25,28H,6,11,16-21H2,(H,31,36)(H,37,38)/t25-,28-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231412
((S)-3-(4-(4-(pyrazin-2-yl)piperazin-1-yl)phenyl)-2...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1cnccn1)C(O)=O Show InChI InChI=1S/C29H34N6O5S/c1-21-4-10-24(11-5-21)41(39,40)35-14-2-3-26(35)28(36)32-25(29(37)38)19-22-6-8-23(9-7-22)33-15-17-34(18-16-33)27-20-30-12-13-31-27/h4-13,20,25-26H,2-3,14-19H2,1H3,(H,32,36)(H,37,38)/t25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231423
((S)-3-(4-(4-phenylpiperazin-1-yl)phenyl)-2-((S)-1-...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H34N4O5S/c35-29(28-12-7-17-34(28)40(38,39)26-10-5-2-6-11-26)31-27(30(36)37)22-23-13-15-25(16-14-23)33-20-18-32(19-21-33)24-8-3-1-4-9-24/h1-6,8-11,13-16,27-28H,7,12,17-22H2,(H,31,35)(H,36,37)/t27-,28-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231429
((S)-3-(4-(4-(cyclopropanecarbonyl)piperazin-1-yl)p...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)C(=O)C1CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O6S/c33-26(25-7-4-14-32(25)39(37,38)23-5-2-1-3-6-23)29-24(28(35)36)19-20-8-12-22(13-9-20)30-15-17-31(18-16-30)27(34)21-10-11-21/h1-3,5-6,8-9,12-13,21,24-25H,4,7,10-11,14-19H2,(H,29,33)(H,35,36)/t24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231408
((S)-3-(4-(4-(2-cyanophenyl)piperazin-1-yl)phenyl)-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1C#N)C(O)=O Show InChI InChI=1S/C32H35N5O5S/c1-23-8-14-27(15-9-23)43(41,42)37-16-4-7-30(37)31(38)34-28(32(39)40)21-24-10-12-26(13-11-24)35-17-19-36(20-18-35)29-6-3-2-5-25(29)22-33/h2-3,5-6,8-15,28,30H,4,7,16-21H2,1H3,(H,34,38)(H,39,40)/t28-,30-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231421
((S)-3-(4-(4-(4-cyanophenyl)piperazin-1-yl)phenyl)-...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H33N5O5S/c32-22-24-10-14-26(15-11-24)35-19-17-34(18-20-35)25-12-8-23(9-13-25)21-28(31(38)39)33-30(37)29-7-4-16-36(29)42(40,41)27-5-2-1-3-6-27/h1-3,5-6,8-15,28-29H,4,7,16-21H2,(H,33,37)(H,38,39)/t28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231431
((S)-3-(4-(4-phenylpiperazin-1-yl)phenyl)-2-((S)-1-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C31H36N4O5S/c1-23-9-15-27(16-10-23)41(39,40)35-17-5-8-29(35)30(36)32-28(31(37)38)22-24-11-13-26(14-12-24)34-20-18-33(19-21-34)25-6-3-2-4-7-25/h2-4,6-7,9-16,28-29H,5,8,17-22H2,1H3,(H,32,36)(H,37,38)/t28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231436
((S)-2-((S)-1-(phenylsulfonyl)pyrrolidine-2-carboxa...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1cnccn1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H32N6O5S/c35-27(25-7-4-14-34(25)40(38,39)23-5-2-1-3-6-23)31-24(28(36)37)19-21-8-10-22(11-9-21)32-15-17-33(18-16-32)26-20-29-12-13-30-26/h1-3,5-6,8-13,20,24-25H,4,7,14-19H2,(H,31,35)(H,36,37)/t24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231433
((S)-3-(4-(4-(3-ethoxy-3-oxopropyl)piperazin-1-yl)p...)Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1 Show InChI InChI=1S/C30H40N4O7S/c1-3-41-28(35)14-16-32-17-19-33(20-18-32)24-10-8-23(9-11-24)21-26(30(37)38)31-29(36)27-5-4-15-34(27)42(39,40)25-12-6-22(2)7-13-25/h6-13,26-27H,3-5,14-21H2,1-2H3,(H,31,36)(H,37,38)/t26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231434
((S)-3-(4-(4-(2-methoxyphenyl)piperazin-1-yl)phenyl...)Show SMILES COc1ccccc1N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1 Show InChI InChI=1S/C32H38N4O6S/c1-23-9-15-26(16-10-23)43(40,41)36-17-5-7-29(36)31(37)33-27(32(38)39)22-24-11-13-25(14-12-24)34-18-20-35(21-19-34)28-6-3-4-8-30(28)42-2/h3-4,6,8-16,27,29H,5,7,17-22H2,1-2H3,(H,33,37)(H,38,39)/t27-,29-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231420
((S)-3-(4-(4-(4-nitrophenyl)piperazin-1-yl)phenyl)-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C31H35N5O7S/c1-22-4-14-27(15-5-22)44(42,43)35-16-2-3-29(35)30(37)32-28(31(38)39)21-23-6-8-24(9-7-23)33-17-19-34(20-18-33)25-10-12-26(13-11-25)36(40)41/h4-15,28-29H,2-3,16-21H2,1H3,(H,32,37)(H,38,39)/t28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231409
((S)-3-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl...)Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1 Show InChI InChI=1S/C32H38N4O6S/c1-23-5-15-28(16-6-23)43(40,41)36-17-3-4-30(36)31(37)33-29(32(38)39)22-24-7-9-25(10-8-24)34-18-20-35(21-19-34)26-11-13-27(42-2)14-12-26/h5-16,29-30H,3-4,17-22H2,1-2H3,(H,33,37)(H,38,39)/t29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231414
((S)-3-(4-(4-(3-methoxyphenyl)piperazin-1-yl)phenyl...)Show SMILES COc1cccc(c1)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1 Show InChI InChI=1S/C32H38N4O6S/c1-23-8-14-28(15-9-23)43(40,41)36-16-4-7-30(36)31(37)33-29(32(38)39)21-24-10-12-25(13-11-24)34-17-19-35(20-18-34)26-5-3-6-27(22-26)42-2/h3,5-6,8-15,22,29-30H,4,7,16-21H2,1-2H3,(H,33,37)(H,38,39)/t29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231425
((S)-3-(4-(4-(pyridin-2-yl)piperazin-1-yl)phenyl)-2...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccn1)C(O)=O Show InChI InChI=1S/C30H35N5O5S/c1-22-7-13-25(14-8-22)41(39,40)35-16-4-5-27(35)29(36)32-26(30(37)38)21-23-9-11-24(12-10-23)33-17-19-34(20-18-33)28-6-2-3-15-31-28/h2-3,6-15,26-27H,4-5,16-21H2,1H3,(H,32,36)(H,37,38)/t26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231432
((S)-3-(4-(4-phenylpiperazin-1-yl)phenyl)-2-((S)-3-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C30H34N4O5S2/c1-22-7-13-26(14-8-22)41(38,39)34-21-40-20-28(34)29(35)31-27(30(36)37)19-23-9-11-25(12-10-23)33-17-15-32(16-18-33)24-5-3-2-4-6-24/h2-14,27-28H,15-21H2,1H3,(H,31,35)(H,36,37)/t27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231415
((S)-3-(4-(4-(ethylcarbamoyl)piperazin-1-yl)phenyl)...)Show SMILES CCNC(=O)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C27H35N5O6S/c1-2-28-27(36)31-17-15-30(16-18-31)21-12-10-20(11-13-21)19-23(26(34)35)29-25(33)24-9-6-14-32(24)39(37,38)22-7-4-3-5-8-22/h3-5,7-8,10-13,23-24H,2,6,9,14-19H2,1H3,(H,28,36)(H,29,33)(H,34,35)/t23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231435
((S)-3-(4-(4-benzylpiperazin-1-yl)phenyl)-2-((S)-1-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(Cc2ccccc2)CC1)C(O)=O Show InChI InChI=1S/C32H38N4O5S/c1-24-9-15-28(16-10-24)42(40,41)36-17-5-8-30(36)31(37)33-29(32(38)39)22-25-11-13-27(14-12-25)35-20-18-34(19-21-35)23-26-6-3-2-4-7-26/h2-4,6-7,9-16,29-30H,5,8,17-23H2,1H3,(H,33,37)(H,38,39)/t29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231411
((S)-3-(4-(4-methylpiperazin-1-yl)phenyl)-2-((S)-1-...)Show SMILES CN1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1 Show InChI InChI=1S/C26H34N4O5S/c1-19-5-11-22(12-6-19)36(34,35)30-13-3-4-24(30)25(31)27-23(26(32)33)18-20-7-9-21(10-8-20)29-16-14-28(2)15-17-29/h5-12,23-24H,3-4,13-18H2,1-2H3,(H,27,31)(H,32,33)/t23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231410
((S)-3-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)phenyl)...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ncccn1)C(O)=O Show InChI InChI=1S/C29H34N6O5S/c1-21-5-11-24(12-6-21)41(39,40)35-15-2-4-26(35)27(36)32-25(28(37)38)20-22-7-9-23(10-8-22)33-16-18-34(19-17-33)29-30-13-3-14-31-29/h3,5-14,25-26H,2,4,15-20H2,1H3,(H,32,36)(H,37,38)/t25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231406
((S)-3-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)phe...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1cccc(C)c1C)C(O)=O Show InChI InChI=1S/C33H40N4O5S/c1-23-9-15-28(16-10-23)43(41,42)37-17-5-8-31(37)32(38)34-29(33(39)40)22-26-11-13-27(14-12-26)35-18-20-36(21-19-35)30-7-4-6-24(2)25(30)3/h4,6-7,9-16,29,31H,5,8,17-22H2,1-3H3,(H,34,38)(H,39,40)/t29-,31-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231418
((S)-3-(4-(4-p-tolylpiperazin-1-yl)phenyl)-2-((S)-1...)Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1 Show InChI InChI=1S/C32H38N4O5S/c1-23-5-11-26(12-6-23)34-18-20-35(21-19-34)27-13-9-25(10-14-27)22-29(32(38)39)33-31(37)30-4-3-17-36(30)42(40,41)28-15-7-24(2)8-16-28/h5-16,29-30H,3-4,17-22H2,1-2H3,(H,33,37)(H,38,39)/t29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 353 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231428
((S)-3-[4-(4-biphenyl-4-yl-piperazin-1-yl)-phenyl]-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C37H40N4O5S/c1-27-9-19-33(20-10-27)47(45,46)41-21-5-8-35(41)36(42)38-34(37(43)44)26-28-11-15-31(16-12-28)39-22-24-40(25-23-39)32-17-13-30(14-18-32)29-6-3-2-4-7-29/h2-4,6-7,9-20,34-35H,5,8,21-26H2,1H3,(H,38,42)(H,43,44)/t34-,35-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231407
((S)-2-(3,5-dichloroisonicotinamido)-3-(4-(4-phenyl...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(Cl)cncc1Cl Show InChI InChI=1S/C25H24Cl2N4O3/c26-20-15-28-16-21(27)23(20)24(32)29-22(25(33)34)14-17-6-8-19(9-7-17)31-12-10-30(11-13-31)18-4-2-1-3-5-18/h1-9,15-16,22H,10-14H2,(H,29,32)(H,33,34)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231416
((S)-2-(2,6-dichlorobenzamido)-3-(4-(4-phenylpipera...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N3O3/c27-21-7-4-8-22(28)24(21)25(32)29-23(26(33)34)17-18-9-11-20(12-10-18)31-15-13-30(14-16-31)19-5-2-1-3-6-19/h1-12,23H,13-17H2,(H,29,32)(H,33,34)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231426
((S)-2-(2-fluoro-6-(trifluoromethyl)benzamido)-3-(4...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(F)cccc1C(F)(F)F Show InChI InChI=1S/C27H25F4N3O3/c28-22-8-4-7-21(27(29,30)31)24(22)25(35)32-23(26(36)37)17-18-9-11-20(12-10-18)34-15-13-33(14-16-34)19-5-2-1-3-6-19/h1-12,23H,13-17H2,(H,32,35)(H,36,37)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50231427
((S)-2-(2,6-difluorobenzamido)-3-(4-(4-phenylpipera...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(F)cccc1F Show InChI InChI=1S/C26H25F2N3O3/c27-21-7-4-8-22(28)24(21)25(32)29-23(26(33)34)17-18-9-11-20(12-10-18)31-15-13-30(14-16-31)19-5-2-1-3-6-19/h1-12,23H,13-17H2,(H,29,32)(H,33,34)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA |
Bioorg Med Chem Lett 18: 1053-7 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.014
BindingDB Entry DOI: 10.7270/Q29S1QR8 |
More data for this
Ligand-Target Pair | |
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