Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50088995'   

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))	BDBM50088995 ((5S,8R,13R,15aR)-8-[(Adamantane-1-carbonyl)-amino]...) Show SMILES OC(=O)C[C@H]1CN2CSC[C@H]2C(=O)N[C@@H](CSSC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1)C(O)=O |TLB:30:25:32:31.29.28,30:29:32:24.25.26,THB:28:27:24:31.29.30,28:29:24:32.27.26| Show InChI InChI=1S/C25H36N4O7S3/c30-20(31)4-16-8-29-12-37-11-19(29)22(33)27-18(23(34)35)10-39-38-9-17(21(32)26-16)28-24(36)25-5-13-1-14(6-25)3-15(2-13)7-25/h13-19H,1-12H2,(H,26,32)(H,27,33)(H,28,36)(H,30,31)(H,34,35)/t13?,14?,15?,16-,17-,18-,19-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	47	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