BindingDB logo
myBDB logout

null

SMILES: NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1

InChI Key: InChIKey=YTTZJSZVTIJCOO-UHFFFAOYSA-N

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 4 hits for monomerid = 50073818   
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))
BDBM50073818
PNG
(2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...)
Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10|
Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 122n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation in citrated human platelet rich plasma (PRP)


Bioorg Med Chem Lett 9: 123-6 (1999)


BindingDB Entry DOI: 10.7270/Q2P55MND
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50073818
PNG
(2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...)
Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10|
Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.5n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets


Bioorg Med Chem Lett 9: 123-6 (1999)


BindingDB Entry DOI: 10.7270/Q2P55MND
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50073818
PNG
(2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...)
Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10|
Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 46n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets


Bioorg Med Chem Lett 9: 123-6 (1999)


BindingDB Entry DOI: 10.7270/Q2P55MND
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50073818
PNG
(2-(Bis-allyloxy-phosphorylamino)-3-{2-[3-(4-carbam...)
Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCC(NP(=O)(OCC=C)OCC=C)C(O)=O)C1 |t:10|
Show InChI InChI=1S/C21H28N5O7P/c1-3-9-31-34(30,32-10-4-2)26-18(21(28)29)13-24-19(27)12-16-11-17(25-33-16)14-5-7-15(8-6-14)20(22)23/h3-8,16,18H,1-2,9-13H2,(H3,22,23)(H,24,27)(H,26,30)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 224n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA


Bioorg Med Chem Lett 9: 123-6 (1999)


BindingDB Entry DOI: 10.7270/Q2P55MND
More data for this
Ligand-Target Pair