BDBM50117044 (S)-2-(2-Bromo-benzoylamino)-3-[4-(2,6-dichloro-benzoylamino)-phenyl]-propionic acid::CHEMBL81003

SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1ccccc1Br

InChI Key: InChIKey=ZEAGMKZBQHJQAR-IBGZPJMESA-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 = 50117044   

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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50117044 ((S)-2-(2-Bromo-benzoylamino)-3-[4-(2,6-dichloro-be...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1ccccc1Br Show InChI InChI=1S/C23H17BrCl2N2O4/c24-16-5-2-1-4-15(16)21(29)28-19(23(31)32)12-13-8-10-14(11-9-13)27-22(30)20-17(25)6-3-7-18(20)26/h1-11,19H,12H2,(H,27,30)(H,28,29)(H,31,32)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibitory binding concentration against VCAM/VLA-4 in ELISA.				Bioorg Med Chem Lett 12: 2479-82 (2002) BindingDB Entry DOI: 10.7270/Q2V989C5
					More data for this Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50117044 ((S)-2-(2-Bromo-benzoylamino)-3-[4-(2,6-dichloro-be...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1ccccc1Br Show InChI InChI=1S/C23H17BrCl2N2O4/c24-16-5-2-1-4-15(16)21(29)28-19(23(31)32)12-13-8-10-14(11-9-13)27-22(30)20-17(25)6-3-7-18(20)26/h1-11,19H,12H2,(H,27,30)(H,28,29)(H,31,32)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibitory binding concentration against VCAM/VLA-4 in Ramos.				Bioorg Med Chem Lett 12: 2479-82 (2002) BindingDB Entry DOI: 10.7270/Q2V989C5
					More data for this Ligand-Target Pair