BDBM50099140 3-({2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-phenyl]-cyclopropanecarbonyl}-amino)-propionic acid::CHEMBL174566

SMILES: CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCC(O)=O)c(Cl)c1Cl

InChI Key: InChIKey=UAGCAOFGPDUCEN-UHFFFAOYSA-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 = 50099140   

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))	BDBM50099140 (3-({2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)...) Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C22H23Cl2NO3S/c1-12(2)13-5-3-4-6-17(13)29-18-8-7-14(20(23)21(18)24)15-11-16(15)22(28)25-10-9-19(26)27/h3-8,12,15-16H,9-11H2,1-2H3,(H,25,28)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...				Bioorg Med Chem Lett 11: 973-6 (2001) BindingDB Entry DOI: 10.7270/Q24T6HN4
					More data for this Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50099140 (3-({2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)...) Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C22H23Cl2NO3S/c1-12(2)13-5-3-4-6-17(13)29-18-8-7-14(20(23)21(18)24)15-11-16(15)22(28)25-10-9-19(26)27/h3-8,12,15-16H,9-11H2,1-2H3,(H,25,28)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...				Bioorg Med Chem Lett 11: 973-6 (2001) BindingDB Entry DOI: 10.7270/Q24T6HN4
					More data for this Ligand-Target Pair