BDBM50092928 1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dichloro-phenylsulfanyl)-3-nitro-phenyl]-propenone::CHEMBL130110

SMILES: CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2cccc(Cl)c2Cl)c(c1)[N+]([O-])=O

InChI Key: InChIKey=LNUHEJIWTOBAQF-SOFGYWHQSA-N

Data: 3 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 3 hits for monomerid = 50092928   

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/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50092928 (1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dichloro-phe...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2cccc(Cl)c2Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H19Cl2N3O4S/c1-14(27)24-9-11-25(12-10-24)20(28)8-6-15-5-7-18(17(13-15)26(29)30)31-19-4-2-3-16(22)21(19)23/h2-8,13H,9-12H2,1H3/b8-6+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	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 alpha-L/beta-2 (LFA-1) (Homo sapiens (Human))	BDBM50092928 (1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dichloro-phe...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2cccc(Cl)c2Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H19Cl2N3O4S/c1-14(27)24-9-11-25(12-10-24)20(28)8-6-15-5-7-18(17(13-15)26(29)30)31-19-4-2-3-16(22)21(19)23/h2-8,13H,9-12H2,1H3/b8-6+	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	105	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(100-110)				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))	BDBM50092928 (1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dichloro-phe...) Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2cccc(Cl)c2Cl)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H19Cl2N3O4S/c1-14(27)24-9-11-25(12-10-24)20(28)8-6-15-5-7-18(17(13-15)26(29)30)31-19-4-2-3-16(22)21(19)23/h2-8,13H,9-12H2,1H3/b8-6+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	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(30-300)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair