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BDBM50423749 CHEMBL600858

SMILES: [#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(F)nc2)-[#6](=O)-[#7]-[#6@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#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]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#6]-1

InChI Key: InChIKey=GPYWNBXZBJVOHR-FVMQRRFMSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50423749   
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))
BDBM50423749
PNG
(CHEMBL600858)
Show SMILES [#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(F)nc2)-[#6](=O)-[#7]-[#6@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#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]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#6]-1 |r|
Show InChI InChI=1S/C57H82FN15O18S3/c58-44-12-11-35(26-66-44)50(81)63-13-5-4-9-38-53(84)72-41-31-93-94-32-42(73-54(85)40(25-49(79)80)69-46(76)27-67-52(83)37(70-55(41)86)10-6-14-65-57(60)61)56(87)71-39(23-34-7-2-1-3-8-34)43(74)24-36(30-92-33-48(78)68-38)51(82)64-16-18-89-20-22-90-21-19-88-17-15-62-47(77)29-91-28-45(59)75/h1-3,7-8,11-12,26,36-42H,4-6,9-10,13-25,27-33H2,(H2,59,75)(H,62,77)(H,63,81)(H,64,82)(H,67,83)(H,68,78)(H,69,76)(H,70,86)(H,71,87)(H,72,84)(H,73,85)(H,79,80)(H4,60,61,65)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from alphaVbeta3 receptor in human EA-Hy926 cells by gamma-counting


J Med Chem 53: 1732-40 (2010)


Article DOI: 10.1021/jm9015813
BindingDB Entry DOI: 10.7270/Q27082Q2
More data for this
Ligand-Target Pair