null

SMILES: OC(=O)[C@H]1CC[C@@H](CC1)OC[C@@H]1C[C@H](F)CN1C(=O)Cc1cc(Cl)c(NC(=O)c2noc3ccccc23)cc1F

InChI Key: InChIKey=SWMZMFTZYMXGBA-WNHJNPCNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50423683   

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))	BDBM50423683 (CHEMBL567608) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)OC[C@@H]1C[C@H](F)CN1C(=O)Cc1cc(Cl)c(NC(=O)c2noc3ccccc23)cc1F |r,wU:3.2,13.14,11.11,wD:6.9,(30,-5.7,;31.34,-4.95,;32.66,-5.74,;31.36,-3.4,;30.03,-2.61,;30.05,-1.08,;31.4,-.33,;32.72,-1.1,;32.7,-2.65,;31.41,1.21,;30.08,1.99,;30.1,3.53,;31.35,4.43,;30.88,5.89,;31.63,7.23,;29.34,5.9,;28.86,4.43,;27.53,3.66,;27.53,2.12,;26.19,4.42,;24.86,3.65,;24.86,2.1,;23.53,1.32,;23.53,-.22,;22.19,2.1,;20.86,1.32,;19.53,2.09,;19.52,3.63,;18.19,1.32,;18.32,-.22,;16.9,-.82,;15.89,.35,;14.36,.38,;13.62,1.72,;14.41,3.04,;15.95,3.01,;16.69,1.66,;22.19,3.64,;23.52,4.41,;23.52,5.95,)| Show InChI InChI=1S/C28H28ClF2N3O6/c29-21-9-16(22(31)12-23(21)32-27(36)26-20-3-1-2-4-24(20)40-33-26)10-25(35)34-13-17(30)11-18(34)14-39-19-7-5-15(6-8-19)28(37)38/h1-4,9,12,15,17-19H,5-8,10-11,13-14H2,(H,32,36)(H,37,38)/t15-,17-,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of europium labeled human VCAM1/Fc chimera binding to human VLA-4 alpha-4-beta-1 expressed in Chinese hamster 4B4 cells by fluorimetric as...				J Med Chem 52: 7974-92 (2009) Article DOI: 10.1021/jm901154c BindingDB Entry DOI: 10.7270/Q20G3MFV
					More data for this Ligand-Target Pair