BDBM50117053 (S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(2-ethyl-6-methyl-benzoylamino)-propionic acid::CHEMBL83785

SMILES: CCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O

InChI Key: InChIKey=LYEWIWRMQRJNFS-NRFANRHFSA-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 = 50117053   

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))	BDBM50117053 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(2-...) Show SMILES CCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C26H24Cl2N2O4/c1-3-17-7-4-6-15(2)22(17)24(31)30-21(26(33)34)14-16-10-12-18(13-11-16)29-25(32)23-19(27)8-5-9-20(23)28/h4-13,21H,3,14H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50117053 ((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(2-...) Show SMILES CCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C26H24Cl2N2O4/c1-3-17-7-4-6-15(2)22(17)24(31)30-21(26(33)34)14-16-10-12-18(13-11-16)29-25(32)23-19(27)8-5-9-20(23)28/h4-13,21H,3,14H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	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