Found 7 hits for monomerid = 50092956 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1. |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha
(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 UniProtKB/TrEMBL
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter... |
J Med Chem 43: 4025-40 (2000)
BindingDB Entry DOI: 10.7270/Q22Z14S7 |
More data for this Ligand-Target Pair | |
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha
(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
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1 |
J Med Chem 44: 1202-10 (2001)
BindingDB Entry DOI: 10.7270/Q22Z14TP |
More data for this Ligand-Target Pair | |
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha
(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 UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL 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/beta-2 (LFA-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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(30-60) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this Ligand-Target Pair | |
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha
(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
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(12-60) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this Ligand-Target Pair | |
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha
(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 UniProtKB/TrEMBL
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Ability to antagonise the Leukocyte function-associated Antigen-1/ Intracellular Adhesion molecule-1 interaction (LFA-1/ICAM-1) |
J Med Chem 44: 2913-20 (2001)
BindingDB Entry DOI: 10.7270/Q2PZ5831 |
More data for this Ligand-Target Pair | |