BDBM50098770 (E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-phenyl]-propenone::1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-phenyl]-propenone::CHEMBL275402

SMILES: CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1

InChI Key: InChIKey=PZJWSJORJOUILO-XVNBXDOJSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50098770   

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
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50098770 ((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1 Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	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, range (30-60)				J Med Chem 44: 1202-10 (2001) BindingDB Entry DOI: 10.7270/Q22Z14TP
					More data for this Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50098770 ((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1 Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Leukocyte function associated antigen 1 (LFA-1)				J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ
					More data for this Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1) (Homo sapiens (Human))	BDBM50098770 ((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1 Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+	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	40	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))	BDBM50098770 ((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1 Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+	PDB UniProtKB/SwissProt 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (30-150)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair