BDBM50021685 CHEMBL3298407

SMILES: CCNC(=O)C1(Cc2ccccc2C1)Nc1nc(N[C@H](C)c2ccccc2)nc(n1)N1CC2CC1CN2C(=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=AYUCDWWRXAGKOK-JOLTYGGCSA-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 = 50021685   

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))	BDBM50021685 (CHEMBL3298407) Show SMILES CCNC(=O)C1(Cc2ccccc2C1)Nc1nc(N[C@H](C)c2ccccc2)nc(n1)N1CC2CC1CN2C(=O)c1cccc(c1)C(F)(F)F |r,THB:28:30:35.36:33,37:36:30.31:33| Show InChI InChI=1S/C36H37F3N8O2/c1-3-40-31(49)35(18-25-12-7-8-13-26(25)19-35)45-33-42-32(41-22(2)23-10-5-4-6-11-23)43-34(44-33)47-21-28-17-29(47)20-46(28)30(48)24-14-9-15-27(16-24)36(37,38)39/h4-16,22,28-29H,3,17-21H2,1-2H3,(H,40,49)(H2,41,42,43,44,45)/t22-,28?,29?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at C-terminal 6xHis-tagged LFA-1 LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with IC...				Bioorg Med Chem 22: 2353-65 (2014) Article DOI: 10.1016/j.bmc.2014.01.050 BindingDB Entry DOI: 10.7270/Q2Q81FN5
					More data for this Ligand-Target Pair