BDBM50263658 (cis/trans)-(E)-ethyl 4-(3-(4-(3-morpholino-3-oxoprop-1-enyl)-2,3-bis(trifluoromethyl)phenylthio)phenylamino)cyclohexanecarboxylate::CHEMBL509676

SMILES: CCOC(=O)C1CCC(CC1)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1

InChI Key: InChIKey=HPLNGZWRFIAXQN-UKTHLTGXSA-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 = 50263658   

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 (LFA-1) (Homo sapiens (Human))	BDBM50263658 ((cis/trans)-(E)-ethyl 4-(3-(4-(3-morpholino-3-oxop...) Show SMILES CCOC(=O)C1CCC(CC1)Nc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1 |(-10.09,-33.58,;-8.75,-34.34,;-7.42,-33.57,;-6.09,-34.34,;-4.75,-33.57,;-6.08,-35.88,;-4.75,-36.65,;-4.74,-38.18,;-6.07,-38.96,;-7.41,-38.2,;-7.41,-36.66,;-6.07,-40.5,;-4.73,-41.27,;-4.73,-42.81,;-3.4,-43.58,;-2.06,-42.81,;-2.07,-41.26,;-.74,-40.49,;.6,-41.25,;.6,-42.79,;1.93,-43.55,;3.27,-42.78,;4.61,-43.54,;5.93,-42.76,;7.27,-43.52,;7.28,-45.06,;8.6,-42.74,;9.94,-43.52,;11.26,-42.75,;11.26,-41.2,;9.92,-40.44,;8.59,-41.21,;3.25,-41.23,;1.92,-40.47,;1.91,-38.93,;1.9,-37.39,;.37,-38.94,;3.45,-38.92,;4.74,-40.83,;6.22,-40.42,;4.33,-39.34,;5.14,-42.31,;-3.4,-40.5,)| Show InChI InChI=1S/C30H32F6N2O4S/c1-2-42-28(40)20-6-10-21(11-7-20)37-22-4-3-5-23(18-22)43-24-12-8-19(9-13-25(39)38-14-16-41-17-15-38)26(29(31,32)33)27(24)30(34,35)36/h3-5,8-9,12-13,18,20-21,37H,2,6-7,10-11,14-17H2,1H3/b13-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant LFA1/ICAM1-IG interaction (unknown origin) by time-resolved fluorimetry method				Bioorg Med Chem Lett 18: 5249-51 (2008) Article DOI: 10.1016/j.bmcl.2008.08.061 BindingDB Entry DOI: 10.7270/Q2CV4HK0
					More data for this Ligand-Target Pair