BindingDB logo
myBDB logout

null

SMILES: [#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@@]1([#6]-c1ccccc1)C(F)(F)F

InChI Key: InChIKey=IKBMFRHCMUKOBA-KAFAUTGVSA-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 2 hits for monomerid = 50183582   
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))
BDBM50183582
PNG
(CHEMBL413574 | c[RGDf-(S)-N-Me-alpha-TfmF])
Show SMILES [#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@@]1([#6]-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18.8n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-5


(Homo sapiens (Human))
BDBM50183582
PNG
(CHEMBL413574 | c[RGDf-(S)-N-Me-alpha-TfmF])
Show SMILES [#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@@]1([#6]-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor


J Med Chem 49: 1808-17 (2006)


Article DOI: 10.1021/jm0511334
BindingDB Entry DOI: 10.7270/Q2G160FD
More data for this
Ligand-Target Pair