BDBM50199034 5-[(5R,9S)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-dioxo-1,3,7-triaza-spiro[4.4]non-7-ylmethyl]-thiophene-3-carboxylic acid::CHEMBL424898

SMILES: CN1C(=O)N(C(=O)[C@@]11CN(Cc2cc(cs2)C(O)=O)C[C@@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=NXNKJLOEGWSJGI-GJZUVCINSA-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 = 50199034   

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))	BDBM50199034 (5-[(5R,9S)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...) Show SMILES CN1C(=O)N(C(=O)[C@@]11CN(Cc2cc(cs2)C(O)=O)C[C@@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m1/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	320	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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