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BDBM50223890 (S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1-enylamino)-biphenyl-4-yl]-2-((R)-7,7-dimethyl-2-oxo-bicyclo[2.2.1]heptane-1-sulfonylamino)-propionic acid::CHEMBL248619

SMILES: CC1(C)C2CC[C@@]1(C(=O)C2)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O

InChI Key: InChIKey=FWYCIUUIVROTKO-ZLICSAOSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50223890   
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))
BDBM50223890
PNG
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Show SMILES CC1(C)C2CC[C@@]1(C(=O)C2)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O |w:3.10,THB:8:7:5.4:1|
Show InChI InChI=1S/C31H33N3O7S/c1-30(2)20-12-13-31(30,24(35)16-20)42(40,41)34-23(29(38)39)14-17-6-8-18(9-7-17)19-4-3-5-22(15-19)33-26-25(27(36)28(26)37)32-21-10-11-21/h3-9,15,20-21,23,32-34H,10-14,16H2,1-2H3,(H,38,39)/t20?,23-,31-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair