BindingDB logo
myBDB logout

PubMed code 26912112

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50156364
PNG
(CHEMBL3786107)
Show SMILES Cl.Cl.NC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1 |r|
Show InChI InChI=1S/C23H27N7O4.2ClH/c24-13-19(28-23(33)34-14-15-4-2-1-3-5-15)21(32)26-16-6-7-18-17(12-16)20(31)29-22(27-18)30-10-8-25-9-11-30;;/h1-7,12,19,25H,8-11,13-14,24H2,(H,26,32)(H,28,33)(H,27,29,31);2*1H/t19-;;/m0../s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells

Bioorg Med Chem Lett 26: 1839-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.011
BindingDB Entry DOI: 10.7270/Q2NV9M57
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50156365
PNG
(CHEMBL3787524)
Show SMILES Cl.Cl.NCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1 |r|
Show InChI InChI=1S/C24H29N7O4.2ClH/c25-9-8-20(29-24(34)35-15-16-4-2-1-3-5-16)22(33)27-17-6-7-19-18(14-17)21(32)30-23(28-19)31-12-10-26-11-13-31;;/h1-7,14,20,26H,8-13,15,25H2,(H,27,33)(H,29,34)(H,28,30,32);2*1H/t20-;;/m0../s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells

Bioorg Med Chem Lett 26: 1839-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.011
BindingDB Entry DOI: 10.7270/Q2NV9M57
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50156363
PNG
(CHEMBL3786425)
Show SMILES Cl.Cl.CC(C)COC(=O)N[C@@H](CN)C(=O)Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1 |r|
Show InChI InChI=1S/C20H29N7O4.2ClH/c1-12(2)11-31-20(30)25-16(10-21)18(29)23-13-3-4-15-14(9-13)17(28)26-19(24-15)27-7-5-22-6-8-27;;/h3-4,9,12,16,22H,5-8,10-11,21H2,1-2H3,(H,23,29)(H,25,30)(H,24,26,28);2*1H/t16-;;/m0../s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells

Bioorg Med Chem Lett 26: 1839-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.011
BindingDB Entry DOI: 10.7270/Q2NV9M57
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50004058
PNG
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells

Bioorg Med Chem Lett 26: 1839-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.011
BindingDB Entry DOI: 10.7270/Q2NV9M57
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50156362
PNG
(CHEMBL3785983)
Show SMILES Cl.Cl.O=C(Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H27N7O2.2ClH/c31-21(16-1-4-18(5-2-16)29-11-7-24-8-12-29)26-17-3-6-20-19(15-17)22(32)28-23(27-20)30-13-9-25-10-14-30;;/h1-6,15,24-25H,7-14H2,(H,26,31)(H,27,28,32);2*1H
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells

Bioorg Med Chem Lett 26: 1839-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.011
BindingDB Entry DOI: 10.7270/Q2NV9M57
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50156352
PNG
(CHEMBL3785489)
Show SMILES Cl.CCC(=O)Nc1ccc2nc([nH]c(=O)c2c1)N1CCNCC1
Show InChI InChI=1S/C15H19N5O2.ClH/c1-2-13(21)17-10-3-4-12-11(9-10)14(22)19-15(18-12)20-7-5-16-6-8-20;/h3-4,9,16H,2,5-8H2,1H3,(H,17,21)(H,18,19,22);1H
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells

Bioorg Med Chem Lett 26: 1839-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.011
BindingDB Entry DOI: 10.7270/Q2NV9M57
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%