Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50088990'   

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/beta-1 (Homo sapiens (Human))	BDBM50088990 (8-(1-adamantylcarboxamido)-11-methyl-1,9-dioxoperh...) Show SMILES C[C@H]1CN2CCC[C@H]2C(=O)N[C@@H](CSSC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1)C(=O)ON |TLB:27:26:29:21.22.23,27:22:29:28.26.25,THB:25:24:21:28.26.27,25:26:21:29.24.23| Show InChI InChI=1S/C25H39N5O5S2/c1-14-11-30-4-2-3-20(30)22(32)28-19(23(33)35-26)13-37-36-12-18(21(31)27-14)29-24(34)25-8-15-5-16(9-25)7-17(6-15)10-25/h14-20H,2-13,26H2,1H3,(H,27,31)(H,28,32)(H,29,34)/t14-,15?,16?,17?,18-,19-,20-,25?/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	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Celltech Chiroscience Curated by ChEMBL					Assay Description Inhibition of VCAM (vascular cell adhesion molecule) adhesion to alpha4-beta1 integrin of leukocyte cells				Bioorg Med Chem Lett 10: 993-5 (2000) BindingDB Entry DOI: 10.7270/Q2RJ4KRC
					More data for this Ligand-Target Pair