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BDBM50006347 2-(2-{2-[2-(2-Acetylamino-acetylamino)-5-guanidino-pentanoylamino]-acetylamino}-3-carboxy-propionylamino)-3-methyl-butyric acid::CHEMBL62519

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

InChI Key: InChIKey=ISSFWLVXRAXPAT-DCGLDWPTSA-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 = 50006347   
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))
BDBM50006347
PNG
(2-(2-{2-[2-(2-Acetylamino-acetylamino)-5-guanidino...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C21H36N8O9/c1-10(2)17(20(37)38)29-19(36)13(7-16(33)34)28-15(32)9-26-18(35)12(5-4-6-24-21(22)23)27-14(31)8-25-11(3)30/h10,12-13,17H,4-9H2,1-3H3,(H,25,30)(H,26,35)(H,27,31)(H,28,32)(H,29,36)(H,33,34)(H,37,38)(H4,22,23,24)/t12-,13-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006347
PNG
(2-(2-{2-[2-(2-Acetylamino-acetylamino)-5-guanidino...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C21H36N8O9/c1-10(2)17(20(37)38)29-19(36)13(7-16(33)34)28-15(32)9-26-18(35)12(5-4-6-24-21(22)23)27-14(31)8-25-11(3)30/h10,12-13,17H,4-9H2,1-3H3,(H,25,30)(H,26,35)(H,27,31)(H,28,32)(H,29,36)(H,33,34)(H,37,38)(H4,22,23,24)/t12-,13-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.70E+4n/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