BindingDB logo
myBDB logout

BDBM50108463 (S)-2-{3'-[3-(1,3-Dihydro-benzoimidazol-2-ylidene)-ureido]-4-methoxy-biphenyl-3-sulfonylamino}-3-phenyl-propionic acid::CHEMBL62618

SMILES: COc1ccc(cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O)-c1cccc(NC(=O)Nc2nc3ccccc3[nH]2)c1

InChI Key: InChIKey=KVRPRPHFOUEQDN-VWLOTQADSA-N

Data: 1 KI

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 = 50108463   
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
ITGAV/ITGB3


(Homo sapiens (Human))		BDBM50108463
PNG
((S)-2-{3'-[3-(1,3-Dihydro-benzoimidazol-2-ylidene)...)
Show SMILES COc1ccc(cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O)-c1cccc(NC(=O)Nc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C30H27N5O6S/c1-41-26-15-14-21(18-27(26)42(39,40)35-25(28(36)37)16-19-8-3-2-4-9-19)20-10-7-11-22(17-20)31-30(38)34-29-32-23-12-5-6-13-24(23)33-29/h2-15,17-18,25,35H,16H2,1H3,(H,36,37)(H3,31,32,33,34,38)/t25-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 13n/an/an/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
In vitro activity in an vitronectin receptor (alpha v beta3) scintillation bead assay using 125-I labelled echistatin as a radioligand

Bioorg Med Chem Lett 12: 205-8 (2001)


BindingDB Entry DOI: 10.7270/Q27945T7
More data for this
Ligand-Target Pair