BDBM50107169 1-{3-[4-(1-Methyl-1H-indol-5-ylsulfanyl)-2,3-bis-trifluoromethyl-phenyl]-acryloyl}-piperidine-4-carboxylic acid::CHEMBL343390

SMILES: Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(c3C(F)(F)F)C(F)(F)F)ccc12

InChI Key: InChIKey=QCABIGRYALYSAQ-XVNBXDOJSA-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 = 50107169   

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))	BDBM50107169 (1-{3-[4-(1-Methyl-1H-indol-5-ylsulfanyl)-2,3-bis-t...) Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(c3C(F)(F)F)C(F)(F)F)ccc12 Show InChI InChI=1S/C26H22F6N2O3S/c1-33-11-8-17-14-18(4-5-19(17)33)38-20-6-2-15(22(25(27,28)29)23(20)26(30,31)32)3-7-21(35)34-12-9-16(10-13-34)24(36)37/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,36,37)/b7-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(5-5)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50107169 (1-{3-[4-(1-Methyl-1H-indol-5-ylsulfanyl)-2,3-bis-t...) Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(c3C(F)(F)F)C(F)(F)F)ccc12 Show InChI InChI=1S/C26H22F6N2O3S/c1-33-11-8-17-14-18(4-5-19(17)33)38-20-6-2-15(22(25(27,28)29)23(20)26(30,31)32)3-7-21(35)34-12-9-16(10-13-34)24(36)37/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,36,37)/b7-3+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(3-10)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair