BDBM50199032 4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-dioxo-1,3,7-triaza-spiro[4.4]non-7-yl]-4-oxo-butyric acid::CHEMBL215896

SMILES: CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CCC(O)=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=VLAKGWWGUVHWPD-YADARESESA-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 = 50199032   

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))	BDBM50199032 (4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CCC(O)=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H20Cl2N4O5/c1-28-23(35)30(18-9-16(25)8-17(26)10-18)22(34)24(28)13-29(20(31)6-7-21(32)33)12-19(24)15-4-2-14(11-27)3-5-15/h2-5,8-10,19H,6-7,12-13H2,1H3,(H,32,33)/t19-,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
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