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BDBM50004339 3-(8-Guanidino-octanoylamino)-N-phenethyl-succinamic acid::CHEMBL145963

SMILES: NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)NCCc1ccccc1

InChI Key: InChIKey=QDGDQHNKVARVPZ-KRWDZBQOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50004339   
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))
BDBM50004339
PNG
(3-(8-Guanidino-octanoylamino)-N-phenethyl-succinam...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H33N5O4/c22-21(23)25-13-8-3-1-2-7-11-18(27)26-17(15-19(28)29)20(30)24-14-12-16-9-5-4-6-10-16/h4-6,9-10,17H,1-3,7-8,11-15H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of Fibrinogen receptor binding


J Med Chem 35: 4914-7 (1993)


Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004339
PNG
(3-(8-Guanidino-octanoylamino)-N-phenethyl-succinam...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H33N5O4/c22-21(23)25-13-8-3-1-2-7-11-18(27)26-17(15-19(28)29)20(30)24-14-12-16-9-5-4-6-10-16/h4-6,9-10,17H,1-3,7-8,11-15H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation (PRP)


J Med Chem 35: 4914-7 (1993)


Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS
More data for this
Ligand-Target Pair