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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.0
BDBM50064940
Wt: 499.0
BDBM50421488

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50064940
PNG
(CHEMBL77747 | {1-[3-(4-Carbamimidoyl-2-chloro-benz...)
Show SMILES CC(C)(C(NC(=O)c1ccc(cc1Cl)C(N)=N)c1ccccc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-12-10-16(11-13-31)14-21(32)33)22(17-6-4-3-5-7-17)30-24(34)19-9-8-18(23(28)29)15-20(19)27/h3-9,15-16,22H,10-14H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 27.3n/an/an/an/an/an/a



Nippon Steel Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human fibrinogen receptor


J Med Chem 41: 2345-60 (1998)


Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50421488
PNG
(CHEMBL350415)
Show SMILES CC(C)([C@H](NC(=O)c1ccc(cc1Cl)C(N)=N)c1ccccc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-12-10-16(11-13-31)14-21(32)33)22(17-6-4-3-5-7-17)30-24(34)19-9-8-18(23(28)29)15-20(19)27/h3-9,15-16,22H,10-14H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 186n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against platelet aggregation


Bioorg Med Chem Lett 10: 859-63 (2000)


BindingDB Entry DOI: 10.7270/Q2W95BFN
More data for this
Ligand-Target Pair