Found 121 hits of ic50 data for complexid = 50000163,50000343 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 beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324824
((S)-2-(2-(benzofuran-2-carbonyl)-5,7-dichloro-1,2,...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cc2ccccc2o1 |r| Show InChI InChI=1S/C27H21Cl2N3O6S/c28-17-10-15-13-32(26(35)20-11-14-4-1-2-5-19(14)38-20)8-7-16(15)23(29)22(17)25(34)31-18(27(36)37)12-30-24(33)21-6-3-9-39-21/h1-6,9-11,18H,7-8,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324822
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2ccoc2c1 |r| Show InChI InChI=1S/C27H21Cl2N3O6S/c28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21/h1-4,6,8-11,19H,5,7,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324810
((S)-2-(5,7-dichloro-2-(4-methylbenzoyl)-1,2,3,4-te...)Show SMILES Cc1ccc(cc1)C(=O)N1CCc2c(C1)cc(Cl)c(C(=O)N[C@@H](CNC(=O)c1cccs1)C(O)=O)c2Cl |r| Show InChI InChI=1S/C26H23Cl2N3O5S/c1-14-4-6-15(7-5-14)25(34)31-9-8-17-16(13-31)11-18(27)21(22(17)28)24(33)30-19(26(35)36)12-29-23(32)20-3-2-10-37-20/h2-7,10-11,19H,8-9,12-13H2,1H3,(H,29,32)(H,30,33)(H,35,36)/t19-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324823
((S)-2-(5,7-dichloro-2-(2,3-dihydrobenzofuran-6-car...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2CCOc2c1 |r| Show InChI InChI=1S/C27H23Cl2N3O6S/c28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21/h1-4,9-11,19H,5-8,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324812
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-5-3-13(4-6-15)24(34)31-8-7-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-2-1-9-37-19/h1-6,9-10,18H,7-8,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50161080
((S)-2-[(S)-3-Isobutyl-2,5-dioxo-4-((E)-3-pyridin-4...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(CC=Cc2ccncc2)[C@@H](CC(C)C)C1=O |w:24.26| Show InChI InChI=1S/C31H36N4O3/c1-22(2)19-28-31(38)35(18-14-29(36)34(28)17-6-7-23-12-15-33-16-13-23)27(30(37)32-3)21-24-10-11-25-8-4-5-9-26(25)20-24/h4-13,15-16,20,22,27-28H,14,17-19,21H2,1-3H3,(H,32,37)/t27-,28-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1) |
Bioorg Med Chem Lett 15: 1217-20 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2 |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324806
((S,E)-2-(5,7-dichloro-2-(3-(furan-2-yl)acryloyl)-1...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)\C=C\c1ccco1 |r| Show InChI InChI=1S/C25H21Cl2N3O6S/c26-17-11-14-13-30(20(31)6-5-15-3-1-9-36-15)8-7-16(14)22(27)21(17)24(33)29-18(25(34)35)12-28-23(32)19-4-2-10-37-19/h1-6,9-11,18H,7-8,12-13H2,(H,28,32)(H,29,33)(H,34,35)/b6-5+/t18-/m0/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157415
((S)-1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluo...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C26H25F3N2O2S/c1-16(2)19-6-3-4-8-22(19)34-23-10-9-17(14-20(23)26(27,28)29)18-11-12-30-24(15-18)31-13-5-7-21(31)25(32)33/h3-4,6,8-12,14-16,21H,5,7,13H2,1-2H3,(H,32,33)/t21-/m0/s1 | PDB
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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324816
((S)-3-benzamido-2-(5,7-dichloro-2-(4-chlorobenzoyl...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccccc1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H22Cl3N3O5/c28-18-8-6-16(7-9-18)26(36)33-11-10-19-17(14-33)12-20(29)22(23(19)30)25(35)32-21(27(37)38)13-31-24(34)15-4-2-1-3-5-15/h1-9,12,21H,10-11,13-14H2,(H,31,34)(H,32,35)(H,37,38)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157421
(4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C27H27F3N2O2S/c1-17(2)21-5-3-4-6-23(21)35-24-8-7-19(15-22(24)27(28,29)30)20-9-12-31-25(16-20)32-13-10-18(11-14-32)26(33)34/h3-9,12,15-18H,10-11,13-14H2,1-2H3,(H,33,34) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157368
((3R,4R)-4-Hydroxy-4''-[4-(2-isopropyl-phenylsulfan...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@@H](O)[C@@H](C1)C(O)=O Show InChI InChI=1S/C27H27F3N2O3S/c1-16(2)19-5-3-4-6-23(19)36-24-8-7-17(13-21(24)27(28,29)30)18-9-11-31-25(14-18)32-12-10-22(33)20(15-32)26(34)35/h3-9,11,13-14,16,20,22,33H,10,12,15H2,1-2H3,(H,34,35)/t20-,22-/m1/s1 | PDB
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antibodypedia
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PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157393
(4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCCC(C1)C(O)=O Show InChI InChI=1S/C27H27F3N2O2S/c1-17(2)21-7-3-4-8-23(21)35-24-10-9-18(14-22(24)27(28,29)30)19-11-12-31-25(15-19)32-13-5-6-20(16-32)26(33)34/h3-4,7-12,14-15,17,20H,5-6,13,16H2,1-2H3,(H,33,34) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50092956
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-phen...)Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O Show InChI InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+ | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157359
(4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethy...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCCC(C1)c1nnn[nH]1 Show InChI InChI=1S/C26H26F3N7S/c1-16(2)19-7-3-4-8-22(19)37-23-10-9-17(12-20(23)26(27,28)29)21-13-24(31-15-30-21)36-11-5-6-18(14-36)25-32-34-35-33-25/h3-4,7-10,12-13,15-16,18H,5-6,11,14H2,1-2H3,(H,32,33,34,35) | PDB
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| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157373
(4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CC1)c1nnn[nH]1 Show InChI InChI=1S/C27H27F3N6S/c1-17(2)21-5-3-4-6-23(21)37-24-8-7-19(15-22(24)27(28,29)30)20-9-12-31-25(16-20)36-13-10-18(11-14-36)26-32-34-35-33-26/h3-9,12,15-18H,10-11,13-14H2,1-2H3,(H,32,33,34,35) | PDB
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Similars
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PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324817
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)Show SMILES OC(=O)[C@H](CNC(=O)c1ccco1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H20Cl3N3O6/c26-15-5-3-13(4-6-15)24(34)31-8-7-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-2-1-9-37-19/h1-6,9-10,18H,7-8,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157398
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-...)Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1C(F)(F)F Show InChI InChI=1S/C25H27F3N2O2S/c1-17(2)20-6-4-5-7-22(20)33-23-10-8-19(16-21(23)25(26,27)28)9-11-24(32)30-14-12-29(13-15-30)18(3)31/h4-11,16-17H,12-15H2,1-3H3/b11-9+ | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157409
(1-(4-{4-[4-(2-ISOPROPYL-PHENYLSULFANYL)-3-TRIFLUOR...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1coc(n1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H26F3N3O2S/c1-16(2)19-6-4-5-7-22(19)34-23-9-8-18(14-20(23)25(26,27)28)21-15-33-24(29-21)31-12-10-30(11-13-31)17(3)32/h4-9,14-16H,10-13H2,1-3H3 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157410
(1-(4-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluor...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H27F3N4OS/c1-17(2)20-6-4-5-7-23(20)35-24-9-8-19(14-21(24)26(27,28)29)22-15-25(31-16-30-22)33-12-10-32(11-13-33)18(3)34/h4-9,14-17H,10-13H2,1-3H3 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157433
(1-(4-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluor...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1csc(n1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H26F3N3OS2/c1-16(2)19-6-4-5-7-22(19)34-23-9-8-18(14-20(23)25(26,27)28)21-15-33-24(29-21)31-12-10-30(11-13-31)17(3)32/h4-9,14-16H,10-13H2,1-3H3 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157355
(CHEMBL181106 | N-((R)-1-{4-[4-(2-Isopropyl-phenyls...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@H](C1)NC(C)=O Show InChI InChI=1S/C27H28F3N3OS/c1-17(2)22-6-4-5-7-24(22)35-25-9-8-19(14-23(25)27(28,29)30)20-10-12-31-26(15-20)33-13-11-21(16-33)32-18(3)34/h4-10,12,14-15,17,21H,11,13,16H2,1-3H3,(H,32,34)/t21-/m1/s1 | PDB
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324811
((S)-2-(5,7-dichloro-2-(3-chlorobenzoyl)-1,2,3,4-te...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-4-1-3-13(9-15)24(34)31-7-6-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-5-2-8-37-19/h1-5,8-10,18H,6-7,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1 | PDB
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| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50161067
((2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHY...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O Show InChI InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m0/s1 | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1) |
Bioorg Med Chem Lett 15: 1217-20 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50123241
((S)-2-[(3S,5R)-3-Isobutyl-5-methyl-2-oxo-4-(2-quin...)Show SMILES CC(C)C[C@@H]1N([C@H](C)CCN([C@@H](Cc2ccc3ccccc3c2)C(N)=O)C1=O)C(=O)Cc1cnc2ccccc2c1 Show InChI InChI=1S/C34H38N4O3/c1-22(2)16-31-34(41)37(30(33(35)40)19-24-12-13-26-8-4-5-9-27(26)17-24)15-14-23(3)38(31)32(39)20-25-18-28-10-6-7-11-29(28)36-21-25/h4-13,17-18,21-23,30-31H,14-16,19-20H2,1-3H3,(H2,35,40)/t23-,30+,31+/m1/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1) |
Bioorg Med Chem Lett 15: 1217-20 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.072
BindingDB Entry DOI: 10.7270/Q20Z72S2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50279780
(4''-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-ylsulfanyl)...)Show SMILES OC(=O)C1CCN(CC1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H23F3N2O4S/c27-26(28,29)20-13-17(1-4-23(20)36-19-2-3-21-22(15-19)35-12-11-34-21)18-5-8-30-24(14-18)31-9-6-16(7-10-31)25(32)33/h1-5,8,13-16H,6-7,9-12H2,(H,32,33) | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157405
(4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C27H28F3N3OS/c1-17(2)21-5-3-4-6-23(21)35-24-8-7-19(15-22(24)27(28,29)30)20-9-12-32-25(16-20)33-13-10-18(11-14-33)26(31)34/h3-9,12,15-18H,10-11,13-14H2,1-2H3,(H2,31,34) | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157366
((R)-4''-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfa...)Show SMILES OC(=O)C1CCCN(C1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H23F3N2O4S/c27-26(28,29)20-12-16(3-6-23(20)36-19-4-5-21-22(14-19)35-11-10-34-21)17-7-8-30-24(13-17)31-9-1-2-18(15-31)25(32)33/h3-8,12-14,18H,1-2,9-11,15H2,(H,32,33) | PDB
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| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157429
(4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(O)CC1 Show InChI InChI=1S/C26H27F3N2OS/c1-17(2)21-5-3-4-6-23(21)33-24-8-7-18(15-22(24)26(27,28)29)19-9-12-30-25(16-19)31-13-10-20(32)11-14-31/h3-9,12,15-17,20,32H,10-11,13-14H2,1-2H3 | PDB
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| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157348
((R)-1-{4-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoro...)Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@@H](O)C1 Show InChI InChI=1S/C23H21F3N2O2S/c1-30-19-4-2-3-5-21(19)31-20-7-6-15(12-18(20)23(24,25)26)16-8-10-27-22(13-16)28-11-9-17(29)14-28/h2-8,10,12-13,17,29H,9,11,14H2,1H3/t17-/m1/s1 | PDB
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324807
((S)-2-(2-benzoyl-5,7-dichloro-1,2,3,4-tetrahydrois...)Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H21Cl2N3O5S/c26-17-11-15-13-30(24(33)14-5-2-1-3-6-14)9-8-16(15)21(27)20(17)23(32)29-18(25(34)35)12-28-22(31)19-7-4-10-36-19/h1-7,10-11,18H,8-9,12-13H2,(H,28,31)(H,29,32)(H,34,35)/t18-/m0/s1 | PDB
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Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157372
(CHEMBL362239 | {4''-[4-(2-Methoxy-phenylsulfanyl)-...)Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CO)CC1 Show InChI InChI=1S/C25H25F3N2O2S/c1-32-21-4-2-3-5-23(21)33-22-7-6-18(14-20(22)25(26,27)28)19-8-11-29-24(15-19)30-12-9-17(16-31)10-13-30/h2-8,11,14-15,17,31H,9-10,12-13,16H2,1H3 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157350
(4-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C24H24F3N3OS/c1-16(2)18-5-3-4-6-21(18)32-22-8-7-17(13-19(22)24(25,26)27)20-14-23(29-15-28-20)30-9-11-31-12-10-30/h3-8,13-16H,9-12H2,1-2H3 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157350
(4-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C24H24F3N3OS/c1-16(2)18-5-3-4-6-21(18)32-22-8-7-17(13-19(22)24(25,26)27)20-14-23(29-15-28-20)30-9-11-31-12-10-30/h3-8,13-16H,9-12H2,1-2H3 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157380
((S)-1-{4-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoro...)Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C24H21F3N2O3S/c1-32-19-6-2-3-7-21(19)33-20-9-8-15(13-17(20)24(25,26)27)16-10-11-28-22(14-16)29-12-4-5-18(29)23(30)31/h2-3,6-11,13-14,18H,4-5,12H2,1H3,(H,30,31)/t18-/m0/s1 | PDB
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Patents
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| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157367
(CHEMBL183506 | N-((R)-1-{4-[4-(2-Methoxy-phenylsul...)Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@H](C1)NC(C)=O Show InChI InChI=1S/C25H24F3N3O2S/c1-16(32)30-19-10-12-31(15-19)24-14-18(9-11-29-24)17-7-8-22(20(13-17)25(26,27)28)34-23-6-4-3-5-21(23)33-2/h3-9,11,13-14,19H,10,12,15H2,1-2H3,(H,30,32)/t19-/m1/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157362
(CHEMBL183485 | N-((R)-1-{4-[4-(2-Methoxy-phenylsul...)Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@H](C1)N(C)C(C)=O Show InChI InChI=1S/C26H26F3N3O2S/c1-17(33)31(2)20-11-13-32(16-20)25-15-19(10-12-30-25)18-8-9-23(21(14-18)26(27,28)29)35-24-7-5-4-6-22(24)34-3/h4-10,12,14-15,20H,11,13,16H2,1-3H3/t20-/m1/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50324809
((S)-2-(5,7-dichloro-2-(3-methylbenzoyl)-1,2,3,4-te...)Show SMILES Cc1cccc(c1)C(=O)N1CCc2c(C1)cc(Cl)c(C(=O)N[C@@H](CNC(=O)c1cccs1)C(O)=O)c2Cl |r| Show InChI InChI=1S/C26H23Cl2N3O5S/c1-14-4-2-5-15(10-14)25(34)31-8-7-17-16(13-31)11-18(27)21(22(17)28)24(33)30-19(26(35)36)12-29-23(32)20-6-3-9-37-20/h2-6,9-11,19H,7-8,12-13H2,1H3,(H,29,32)(H,30,33)(H,35,36)/t19-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay |
Bioorg Med Chem Lett 20: 5269-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157365
((2S,4R)-4-Hydroxy-1-{4-[4-(2-isopropyl-phenylsulfa...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1C[C@H](O)C[C@H]1C(O)=O Show InChI InChI=1S/C26H25F3N2O3S/c1-15(2)19-5-3-4-6-22(19)35-23-8-7-16(11-20(23)26(27,28)29)17-9-10-30-24(12-17)31-14-18(32)13-21(31)25(33)34/h3-12,15,18,21,32H,13-14H2,1-2H3,(H,33,34)/t18-,21+/m1/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157354
(1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(O)C1 Show InChI InChI=1S/C25H25F3N2OS/c1-16(2)20-5-3-4-6-22(20)32-23-8-7-17(13-21(23)25(26,27)28)18-9-11-29-24(14-18)30-12-10-19(31)15-30/h3-9,11,13-14,16,19,31H,10,12,15H2,1-2H3 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157375
(1-(4-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluor...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N3OS/c1-18(2)22-6-4-5-7-24(22)35-25-9-8-20(16-23(25)27(28,29)30)21-10-11-31-26(17-21)33-14-12-32(13-15-33)19(3)34/h4-11,16-18H,12-15H2,1-3H3 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157374
(4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethy...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCC(CC1)c1nnn[nH]1 Show InChI InChI=1S/C26H26F3N7S/c1-16(2)19-5-3-4-6-22(19)37-23-8-7-18(13-20(23)26(27,28)29)21-14-24(31-15-30-21)36-11-9-17(10-12-36)25-32-34-35-33-25/h3-8,13-17H,9-12H2,1-2H3,(H,32,33,34,35) | PDB
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| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157361
(2-{4''-[4-(2-Methoxy-phenylsulfanyl)-3-trifluorome...)Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CCO)CC1 Show InChI InChI=1S/C26H27F3N2O2S/c1-33-22-4-2-3-5-24(22)34-23-7-6-19(16-21(23)26(27,28)29)20-8-12-30-25(17-20)31-13-9-18(10-14-31)11-15-32/h2-8,12,16-18,32H,9-11,13-15H2,1H3 | PDB
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| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157431
(CHEMBL183295 | N-((R)-1-{4-[4-(2,3-Dihydro-benzo[1...)Show SMILES CC(=O)N[C@@H]1CCN(C1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H24F3N3O3S/c1-16(33)31-19-7-9-32(15-19)25-13-18(6-8-30-25)17-2-5-24(21(12-17)26(27,28)29)36-20-3-4-22-23(14-20)35-11-10-34-22/h2-6,8,12-14,19H,7,9-11,15H2,1H3,(H,31,33)/t19-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157411
(CHEMBL180907 | N-((R)-1-{4-[4-(2-Isopropyl-phenyls...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@H](C1)N(C)C(C)=O Show InChI InChI=1S/C28H30F3N3OS/c1-18(2)23-7-5-6-8-25(23)36-26-10-9-20(15-24(26)28(29,30)31)21-11-13-32-27(16-21)34-14-12-22(17-34)33(4)19(3)35/h5-11,13,15-16,18,22H,12,14,17H2,1-4H3/t22-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157377
(4''-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoromethy...)Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C25H23F3N2O3S/c1-33-20-4-2-3-5-22(20)34-21-7-6-17(14-19(21)25(26,27)28)18-8-11-29-23(15-18)30-12-9-16(10-13-30)24(31)32/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,31,32) | PDB
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| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157352
(1-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCCC(C1)C(O)=O Show InChI InChI=1S/C26H26F3N3O2S/c1-16(2)19-7-3-4-8-22(19)35-23-10-9-17(12-20(23)26(27,28)29)21-13-24(31-15-30-21)32-11-5-6-18(14-32)25(33)34/h3-4,7-10,12-13,15-16,18H,5-6,11,14H2,1-2H3,(H,33,34) | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157382
(1-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C26H26F3N3O2S/c1-16(2)19-5-3-4-6-22(19)35-23-8-7-18(13-20(23)26(27,28)29)21-14-24(31-15-30-21)32-11-9-17(10-12-32)25(33)34/h3-8,13-17H,9-12H2,1-2H3,(H,33,34) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157406
(1-(4-{4-[4-(2-Methoxy-phenylsulfanyl)-3-trifluorom...)Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H24F3N3O2S/c1-17(32)30-11-13-31(14-12-30)24-16-19(9-10-29-24)18-7-8-22(20(15-18)25(26,27)28)34-23-6-4-3-5-21(23)33-2/h3-10,15-16H,11-14H2,1-2H3 | PDB
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PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157386
(4''-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoromethy...)Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCCC(C1)C(O)=O Show InChI InChI=1S/C25H23F3N2O3S/c1-33-20-6-2-3-7-22(20)34-21-9-8-16(13-19(21)25(26,27)28)17-10-11-29-23(14-17)30-12-4-5-18(15-30)24(31)32/h2-3,6-11,13-14,18H,4-5,12,15H2,1H3,(H,31,32) | PDB
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| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50157428
((R)-1-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulf...)Show SMILES O[C@@H]1CCN(C1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C24H21F3N2O3S/c25-24(26,27)19-11-15(16-5-7-28-23(12-16)29-8-6-17(30)14-29)1-4-22(19)33-18-2-3-20-21(13-18)32-10-9-31-20/h1-5,7,11-13,17,30H,6,8-10,14H2/t17-/m1/s1 | PDB
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex |
Bioorg Med Chem Lett 15: 195-201 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD |
More data for this
Ligand-Target Pair | |
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