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Compile Data Set for Download or QSAR

Found 20 hits from Academy of Scientific and Innovative Research   
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
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211284
PNG
(CHEMBL3959435)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3ccccc3c2CC1C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CVX-induced platelet aggregation preincubated for 5 mins ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211284
PNG
(CHEMBL3959435)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3ccccc3c2CC1C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211282
PNG
(CHEMBL308493)
Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-XL-induced platelet aggregation preincubated for 5 mi...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211280
PNG
(S007-1558 (S))
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)/t18-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CVX-induced platelet aggregation preincubated for 5 mins ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CVX-induced platelet aggregation preincubated for 5 mins ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211282
PNG
(CHEMBL308493)
Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
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n/an/a 1.61E+4n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211280
PNG
(S007-1558 (S))
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)/t18-/m0/s1
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n/an/a 2.53E+4n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50016900
PNG
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)
Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
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n/an/a 3.50E+4n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-induced platelet aggregation preincubated for 60 sec ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50016900
PNG
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)
Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
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PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 60...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211282
PNG
(CHEMBL308493)
Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CVX-induced platelet aggregation preincubated for 5 mins ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211284
PNG
(CHEMBL3959435)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3ccccc3c2CC1C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)
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n/an/a 5.35E+4n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-XL-induced platelet aggregation preincubated for 5 mi...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211283
PNG
(CHEMBL2263356)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)/t18-/m1/s1
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n/an/a 8.68E+4n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CVX-induced platelet aggregation preincubated for 5 mins ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211283
PNG
(CHEMBL2263356)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)/t18-/m1/s1
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n/an/a 1.26E+5n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 ...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 1.58E+5n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-XL-induced platelet aggregation preincubated for 5 mi...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211280
PNG
(S007-1558 (S))
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)/t18-/m0/s1
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n/an/a 1.81E+5n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-XL-induced platelet aggregation preincubated for 5 mi...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211283
PNG
(CHEMBL2263356)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-26-12-6-8-13(9-7-12)27(24,25)22-11-17-15(10-18(22)19(20)23)14-4-2-3-5-16(14)21-17/h2-9,18,21H,10-11H2,1H3,(H2,20,23)/t18-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-XL-induced platelet aggregation preincubated for 5 mi...


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211287
PNG
(CHEMBL3957185)
Show SMILES C(Cc1ccccc1)Oc1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C21H18N4O/c1-2-5-16(6-3-1)13-14-26-20-11-9-17(10-12-20)18-7-4-8-19(15-18)21-22-24-25-23-21/h1-12,15H,13-14H2,(H,22,23,24,25)
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n/an/an/a 5.20n/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Binding affinity to GP6 receptor (unknown origin) by NMR method


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211285
PNG
(CHEMBL3948507)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C43H52N8O13/c1-22(46-38(58)32(18-26-20-45-29-11-7-6-10-28(26)29)49-41(61)33(19-35(55)56)50-42(62)36(44)23(2)53)37(57)47-30(17-25-12-14-27(54)15-13-25)39(59)48-31(16-24-8-4-3-5-9-24)40(60)51-34(21-52)43(63)64/h3-15,20,22-23,30-34,36,45,52-54H,16-19,21,44H2,1-2H3,(H,46,58)(H,47,57)(H,48,59)(H,49,61)(H,50,62)(H,51,60)(H,55,56)(H,63,64)/t22-,23+,30-,31-,32-,33-,34-,36-/m0/s1
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n/an/an/a 5.70n/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Binding affinity to GP6 receptor (unknown origin) by NMR method


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair
Platelet glycoprotein VI


(Homo sapiens)
BDBM50211281
PNG
(CHEMBL3894250)
Show SMILES C(CCc1ccccc1)COc1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C23H22N4O/c1-2-7-18(8-3-1)9-4-5-16-28-22-14-12-19(13-15-22)20-10-6-11-21(17-20)23-24-26-27-25-23/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,24,25,26,27)
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n/an/an/a 8.5n/an/an/an/an/a



Academy of Scientific and Innovative Research

Curated by ChEMBL


Assay Description
Binding affinity to GP6 receptor (unknown origin) by NMR method


J Med Chem 60: 322-337 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01360
More data for this
Ligand-Target Pair