BDBM50318226 2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)benzo[d]oxazole-6-carboxylic Acid::CHEMBL1095148

SMILES: CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc2ccc(cc2o1)C(O)=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=YJPXVQLGBKABGV-RBTNQOKQSA-N

Data: 2 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 2 hits for monomerid = 50318226   

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 (Homo sapiens (Human))	BDBM50318226 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc2ccc(cc2o1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H19Cl2N5O5/c1-33-27(39)35(20-10-18(29)9-19(30)11-20)25(38)28(33)14-34(13-21(28)16-4-2-15(12-31)3-5-16)26-32-22-7-6-17(24(36)37)8-23(22)40-26/h2-11,21H,13-14H2,1H3,(H,36,37)/t21-,28+/m0/s1	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318226 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc2ccc(cc2o1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H19Cl2N5O5/c1-33-27(39)35(20-10-18(29)9-19(30)11-20)25(38)28(33)14-34(13-21(28)16-4-2-15(12-31)3-5-16)26-32-22-7-6-17(24(36)37)8-23(22)40-26/h2-11,21H,13-14H2,1H3,(H,36,37)/t21-,28+/m0/s1	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	410	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated human T cell proliferation assessed as [3H]thymidine uptake after 4 days by mixed lymphocyte reaction assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair