BDBM50092943 1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl]-propenone::CHEMBL101416
SMILES: CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1
InChI Key: InChIKey=JAUMKMDGCWUQCV-XVNBXDOJSA-N
Data: 5 IC50
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 |
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Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human)) | BDBM50092943![]() (1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,4-dic...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 140 | 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 | |||||||||||||
Intercellular adhesion molecule 1 (Homo sapiens (Human)) | BDBM50092943![]() (1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,4-dic...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank 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 |
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 alpha-L/beta-2 (Homo sapiens (Human)) | BDBM50092943![]() (1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,4-dic...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 130 | 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 (100-600) | J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-L (Homo sapiens (Human)) | BDBM50092943![]() (1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,4-dic...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 140 | 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(100-200) | J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human)) | BDBM50092943![]() (1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,4-dic...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 140 | 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 |