BindingDB logo
myBDB logout

null

SMILES: OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(nc1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1

InChI Key: InChIKey=ZNPQPNSOQCGUTL-NRFANRHFSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50243820   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Integrin alpha-4


(Homo sapiens (Human))		BDBM50243820
PNG
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(nc1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:35|
Show InChI InChI=1S/C30H25BrF3N5O3/c31-23-24(29(25(23)40)12-2-1-3-13-29)37-21(28(41)42)15-17-6-9-19(10-7-17)39-26(38-20-5-4-14-35-27(20)39)18-8-11-22(36-16-18)30(32,33)34/h4-11,14,16,21,37H,1-3,12-13,15H2,(H,41,42)/t21-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry

Bioorg Med Chem Lett 18: 4146-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ
More data for this
Ligand-Target Pair