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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50085012   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50085012
PNG
(2-(Butane-1-sulfonylamino)-3-{2-[(S)-4-(3-guanidin...)
Show SMILES CCCCS(=O)(=O)NC(CNC(=O)Cn1c(O)c(CCCNC(N)=N)[nH]c1=O)C([O-])=O
Show InChI InChI=1/C16H29N7O7S/c1-2-3-7-31(29,30)22-11(14(26)27)8-20-12(24)9-23-13(25)10(21-16(23)28)5-4-6-19-15(17)18/h11,22,25H,2-9H2,1H3,(H,20,24)(H,21,28)(H,26,27)(H4,17,18,19)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Hoechst Marion Roussel Inc

Curated by ChEMBL


Assay Description
Inhibition of Kistrin binding to integrin alphaV-beta3


Bioorg Med Chem Lett 10: 179-82 (2000)


Article DOI: 10.1016/s0960-894x(99)00661-7
BindingDB Entry DOI: 10.7270/Q290249V
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50085012
PNG
(2-(Butane-1-sulfonylamino)-3-{2-[(S)-4-(3-guanidin...)
Show SMILES CCCCS(=O)(=O)NC(CNC(=O)Cn1c(O)c(CCCNC(N)=N)[nH]c1=O)C([O-])=O
Show InChI InChI=1/C16H29N7O7S/c1-2-3-7-31(29,30)22-11(14(26)27)8-20-12(24)9-23-13(25)10(21-16(23)28)5-4-6-19-15(17)18/h11,22,25H,2-9H2,1H3,(H,20,24)(H,21,28)(H,26,27)(H4,17,18,19)/p-1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEBI
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Hoechst Marion Roussel Inc

Curated by ChEMBL


Assay Description
Inhibition of Kistrin binding to integrin alphaV-beta3


Bioorg Med Chem Lett 10: 179-82 (2000)


Article DOI: 10.1016/s0960-894x(99)00661-7
BindingDB Entry DOI: 10.7270/Q290249V
More data for this
Ligand-Target Pair