Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1' and Ligand = 'BDBM260676'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260676 (US9533985, 64) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4cccc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H25F2N5O7S/c1-36-15-12-27(39)38(31(36)43)22-6-4-19(5-7-22)16-26(30(41)42)34-29(40)28-24(32)17-20(18-25(28)33)35-46(44,45)23-10-8-21(9-11-23)37-13-2-3-14-37/h2-15,17-18,26,35H,16H2,1H3,(H,34,40)(H,41,42)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair