BDBM50318221 6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)-4-methylnicotinic Acid::CHEMBL1099103

SMILES: CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1cc(C)c(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=NYIQRNXFPZZFNO-WXVAWEFUSA-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 = 50318221   

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))	BDBM50318221 (6-((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)c1cc(C)c(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H21Cl2N5O4/c1-15-7-23(31-12-21(15)24(35)36)33-13-22(17-5-3-16(11-30)4-6-17)27(14-33)25(37)34(26(38)32(27)2)20-9-18(28)8-19(29)10-20/h3-10,12,22H,13-14H2,1-2H3,(H,35,36)/t22-,27+/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	240	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 IL2 mRNA level in SEB-stimulated human whole blood measured after 6 hrs post stimulation by RT-PCR analysis				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))	BDBM50318221 (6-((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)c1cc(C)c(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H21Cl2N5O4/c1-15-7-23(31-12-21(15)24(35)36)33-13-22(17-5-3-16(11-30)4-6-17)27(14-33)25(37)34(26(38)32(27)2)20-9-18(28)8-19(29)10-20/h3-10,12,22H,13-14H2,1-2H3,(H,35,36)/t22-,27+/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	11	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