BindingDB logo
myBDB logout

null

SMILES: COC(=O)C[C@H](N(C)C(=O)CCCCc1nc2NCCCc2cc1C)c1ccc(OC)nc1

InChI Key: InChIKey=KJTGODHDGKRMDH-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 = 50142344   
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-V/beta-3


(Homo sapiens (Human))		BDBM50142344
PNG
((S)-3-(6-Methoxy-pyridin-3-yl)-3-{methyl-[5-(3-met...)
Show SMILES COC(=O)C[C@H](N(C)C(=O)CCCCc1nc2NCCCc2cc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C25H34N4O4/c1-17-14-18-8-7-13-26-25(18)28-20(17)9-5-6-10-23(30)29(2)21(15-24(31)33-4)19-11-12-22(32-3)27-16-19/h11-12,14,16,21H,5-10,13,15H2,1-4H3,(H,26,28)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]L-775,219 from human recombinant alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 1049-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.036
BindingDB Entry DOI: 10.7270/Q2R49RZW
More data for this
Ligand-Target Pair