null

SMILES: OC(=O)[C@H]1CC[C@@H](CC1)OC[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc2nc(oc2c1)-c1ccccc1

InChI Key: InChIKey=YYPYZVJQCHYCQK-CMOCDZPBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50423854   

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))	BDBM50423854 (CHEMBL1940757) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)OC[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc2nc(oc2c1)-c1ccccc1 |r,wU:11.11,3.2,13.14,wD:6.9,(38.65,-22.7,;37.31,-21.94,;37.29,-20.4,;35.99,-22.73,;36,-24.27,;34.69,-25.05,;33.34,-24.3,;33.31,-22.76,;34.64,-21.98,;32.2,-25.33,;30.73,-24.85,;30.41,-23.35,;31.44,-22.2,;30.66,-20.87,;31.28,-19.46,;29.16,-21.19,;29.01,-22.72,;27.67,-23.5,;27.68,-25.04,;26.34,-22.73,;25.01,-23.51,;25.01,-25.06,;23.68,-25.83,;22.34,-25.06,;20.87,-25.53,;19.96,-24.28,;20.87,-23.03,;22.34,-23.51,;23.67,-22.74,;18.42,-24.28,;17.66,-22.94,;16.12,-22.94,;15.35,-24.27,;16.12,-25.61,;17.66,-25.61,)| Show InChI InChI=1S/C27H29FN2O5/c28-20-14-21(16-34-22-9-7-19(8-10-22)27(32)33)30(15-20)25(31)13-17-6-11-23-24(12-17)35-26(29-23)18-4-2-1-3-5-18/h1-6,11-12,19-22H,7-10,13-16H2,(H,32,33)/t19-,20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Displacement of Eu-labeled VCAM-1 from human VLA alpha4 beta1 expressed in CHO-K1 cells after 60 mins by time-resolved fluorometric analysis				Bioorg Med Chem 20: 1201-12 (2012) Article DOI: 10.1016/j.bmc.2011.12.045 BindingDB Entry DOI: 10.7270/Q2XG9SFK
					More data for this Ligand-Target Pair