BDBM50098755 1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(3-dimethylaminomethyl-1-ethyl-1H-indol-7-ylsulfanyl)-phenyl]-propenone::CHEMBL277769

SMILES: CCn1cc(CN(C)C)c2cccc(Sc3ccc(\C=C\C(=O)N4CCN(CC4)C(C)=O)cc3Cl)c12

InChI Key: InChIKey=DOTRUZSRWNXWJD-ZRDIBKRKSA-N

Data: 1 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 1 hit for monomerid = 50098755   

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 alpha-L/beta-2 (Homo sapiens (Human))	BDBM50098755 (1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(3-dimet...) Show SMILES CCn1cc(CN(C)C)c2cccc(Sc3ccc(\C=C\C(=O)N4CCN(CC4)C(C)=O)cc3Cl)c12 Show InChI InChI=1S/C28H33ClN4O2S/c1-5-31-19-22(18-30(3)4)23-7-6-8-26(28(23)31)36-25-11-9-21(17-24(25)29)10-12-27(35)33-15-13-32(14-16-33)20(2)34/h6-12,17,19H,5,13-16,18H2,1-4H3/b12-10+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (100-110)				J Med Chem 44: 1202-10 (2001) BindingDB Entry DOI: 10.7270/Q22Z14TP
					More data for this Ligand-Target Pair