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BDBM50006276 2-{2-[2-(2-Amino-5-guanidino-pentanoylamino)-acetylamino]-3-carboxy-propionylamino}-4-methyl-pentanoic acid::CHEMBL64299

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=SFYVVTBVRQOHEJ-SRVKXCTJSA-N

Data: 2 IC50

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 = 50006276   
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))
BDBM50006276
PNG
(2-{2-[2-(2-Amino-5-guanidino-pentanoylamino)-acety...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C18H33N7O7/c1-9(2)6-12(17(31)32)25-16(30)11(7-14(27)28)24-13(26)8-23-15(29)10(19)4-3-5-22-18(20)21/h9-12H,3-8,19H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)(H,27,28)(H,31,32)(H4,20,21,22)/t10-,11-,12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006276
PNG
(2-{2-[2-(2-Amino-5-guanidino-pentanoylamino)-acety...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C18H33N7O7/c1-9(2)6-12(17(31)32)25-16(30)11(7-14(27)28)24-13(26)8-23-15(29)10(19)4-3-5-22-18(20)21/h9-12H,3-8,19H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)(H,27,28)(H,31,32)(H4,20,21,22)/t10-,11-,12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 105n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair