BDBM50105400 (S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl]-amino}-hexanoic acid::CHEMBL89960

SMILES: CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)c(OC)c1)C(O)=O

InChI Key: InChIKey=UIQZHYNNPYXEGY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50105400   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-4/beta-1 (Human)	BDBM50105400 ((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Human)	BDBM50105400 ((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Human)	BDBM50105400 ((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Human)	BDBM50105400 ((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair