null

SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCc2ccccc2)c(=O)c1=O

InChI Key: InChIKey=YLRGNZAPNWYSCK-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50111257   

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-4/beta-1 (Homo sapiens (Human))	BDBM50111257 ((S)-2-(2-Benzylamino-3,4-dioxo-cyclobut-1-enylamin...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCc2ccccc2)c(=O)c1=O Show InChI InChI=1S/C26H20Cl2N4O5/c27-17-12-29-13-18(28)20(17)25(35)31-16-8-6-14(7-9-16)10-19(26(36)37)32-22-21(23(33)24(22)34)30-11-15-4-2-1-3-5-15/h1-9,12-13,19,30,32H,10-11H2,(H,31,35)(H,36,37)/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	320	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a cell based ligand binding assay (Jurkat cells)				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111257 ((S)-2-(2-Benzylamino-3,4-dioxo-cyclobut-1-enylamin...) Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCc2ccccc2)c(=O)c1=O Show InChI InChI=1S/C26H20Cl2N4O5/c27-17-12-29-13-18(28)20(17)25(35)31-16-8-6-14(7-9-16)10-19(26(36)37)32-22-21(23(33)24(22)34)30-11-15-4-2-1-3-5-15/h1-9,12-13,19,30,32H,10-11H2,(H,31,35)(H,36,37)/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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair