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BDBM50003319 3-(2-{5-Guanidino-2-[(2-mercapto-benzoyl)-methyl-amino]-pentanoylamino}-acetylamino)-N-(2-mercapto-phenyl)-succinamic acid(Mba-(N-Me)Arg-Gly-Asp-Man)::CHEMBL132216

SMILES: CN([C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1S)C(=O)c1ccccc1S

InChI Key: InChIKey=POQNQXDDMZDMDU-ROUUACIJSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50003319   
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-IIb/beta-3


(Homo sapiens (Human))
BDBM50003319
PNG
(3-(2-{5-Guanidino-2-[(2-mercapto-benzoyl)-methyl-a...)
Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1S)C(=O)c1ccccc1S
Show InChI InChI=1S/C26H33N7O6S2/c1-33(25(39)15-7-2-4-10-19(15)40)18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41/h2-5,7-8,10-11,17-18,40-41H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma


J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50003319
PNG
(3-(2-{5-Guanidino-2-[(2-mercapto-benzoyl)-methyl-a...)
Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1S)C(=O)c1ccccc1S
Show InChI InChI=1S/C26H33N7O6S2/c1-33(25(39)15-7-2-4-10-19(15)40)18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41/h2-5,7-8,10-11,17-18,40-41H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 90n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma


J Med Chem 35: 3962-9 (1992)


BindingDB Entry DOI: 10.7270/Q2028QG9
More data for this
Ligand-Target Pair