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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'tahiri' and Initial = 'h'   
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
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50370294
PNG
(Examorelin | HEXARELIN | US9708370, Hexareline)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C47H58N12O6/c1-27-34(33-15-7-9-17-37(33)54-27)23-41(58-44(62)35(49)22-31-25-51-26-53-31)45(63)55-28(2)43(61)57-40(21-30-24-52-36-16-8-6-14-32(30)36)47(65)59-39(20-29-12-4-3-5-13-29)46(64)56-38(42(50)60)18-10-11-19-48/h3-9,12-17,24-26,28,35,38-41,52,54H,10-11,18-23,48-49H2,1-2H3,(H2,50,60)(H,51,53)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,59,65)/t28-,35-,38-,39+,40-,41+/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242203
PNG
(CHEMBL4078128)
Show SMILES CCCOc1ccc(CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r|
Show InChI InChI=1S/C46H60N12O7/c1-3-21-65-34-18-16-31(17-19-34)27-58(46(64)56-39(22-30-11-5-4-6-12-30)45(63)54-38(41(49)59)15-9-10-20-47)57-42(60)29(2)53-44(62)40(23-32-25-51-37-14-8-7-13-35(32)37)55-43(61)36(48)24-33-26-50-28-52-33/h4-8,11-14,16-19,25-26,28-29,36,38-40,51H,3,9-10,15,20-24,27,47-48H2,1-2H3,(H2,49,59)(H,50,52)(H,53,62)(H,54,63)(H,55,61)(H,56,64)(H,57,60)/t29-,36-,38-,39+,40+/m0/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50394994
PNG
(CHEMBL2163484 | US9708370, DBG-178p)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C43H54N12O7/c1-26(50-41(60)37(20-29-22-48-34-12-6-5-11-32(29)34)52-40(59)33(45)21-30-23-47-25-49-30)39(58)54-55(24-28-14-16-31(56)17-15-28)43(62)53-36(19-27-9-3-2-4-10-27)42(61)51-35(38(46)57)13-7-8-18-44/h2-6,9-12,14-17,22-23,25-26,33,35-37,48,56H,7-8,13,18-21,24,44-45H2,1H3,(H2,46,57)(H,47,49)(H,50,60)(H,51,61)(H,52,59)(H,53,62)(H,54,58)/t26-,33-,35-,36+,37+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242204
PNG
(CHEMBL4086017)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(Br)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C43H53BrN12O6/c1-26(51-41(60)37(20-29-22-49-34-12-6-5-11-32(29)34)53-40(59)33(46)21-31-23-48-25-50-31)39(58)55-56(24-28-14-16-30(44)17-15-28)43(62)54-36(19-27-9-3-2-4-10-27)42(61)52-35(38(47)57)13-7-8-18-45/h2-6,9-12,14-17,22-23,25-26,33,35-37,49H,7-8,13,18-21,24,45-46H2,1H3,(H2,47,57)(H,48,50)(H,51,60)(H,52,61)(H,53,59)(H,54,62)(H,55,58)/t26-,33-,35-,36+,37+/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242206
PNG
(CHEMBL4080592)
Show SMILES C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C40H51ClN10O6/c1-24(43)36(53)48-34(21-28-22-45-31-13-7-6-12-30(28)31)38(55)46-25(2)37(54)50-51(23-27-15-17-29(41)18-16-27)40(57)49-33(20-26-10-4-3-5-11-26)39(56)47-32(35(44)52)14-8-9-19-42/h3-7,10-13,15-18,22,24-25,32-34,45H,8-9,14,19-21,23,42-43H2,1-2H3,(H2,44,52)(H,46,55)(H,47,56)(H,48,53)(H,49,57)(H,50,54)/t24-,25-,32-,33+,34+/m0/s1
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n/an/a 4.94E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242210
PNG
(CHEMBL4104823)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1c(C)cccc1C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C45H58N12O6/c1-27-12-11-13-28(2)34(27)25-57(45(63)55-38(20-30-14-5-4-6-15-30)44(62)53-37(40(48)58)18-9-10-19-46)56-41(59)29(3)52-43(61)39(21-31-23-50-36-17-8-7-16-33(31)36)54-42(60)35(47)22-32-24-49-26-51-32/h4-8,11-17,23-24,26,29,35,37-39,50H,9-10,18-22,25,46-47H2,1-3H3,(H2,48,58)(H,49,51)(H,52,61)(H,53,62)(H,54,60)(H,55,63)(H,56,59)/t29-,35-,37-,38+,39+/m0/s1
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n/an/a 5.51E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242216
PNG
(CHEMBL4088461)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1c(C)cc(F)cc1C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C45H57FN12O6/c1-26-17-31(46)18-27(2)34(26)24-58(45(64)56-38(19-29-11-5-4-6-12-29)44(63)54-37(40(49)59)15-9-10-16-47)57-41(60)28(3)53-43(62)39(20-30-22-51-36-14-8-7-13-33(30)36)55-42(61)35(48)21-32-23-50-25-52-32/h4-8,11-14,17-18,22-23,25,28,35,37-39,51H,9-10,15-16,19-21,24,47-48H2,1-3H3,(H2,49,59)(H,50,52)(H,53,62)(H,54,63)(H,55,61)(H,56,64)(H,57,60)/t28-,35-,37-,38+,39+/m0/s1
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n/an/a 5.58E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242211
PNG
(CHEMBL4067202)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C43H53FN12O6/c1-26(51-41(60)37(20-29-22-49-34-12-6-5-11-32(29)34)53-40(59)33(46)21-31-23-48-25-50-31)39(58)55-56(24-28-14-16-30(44)17-15-28)43(62)54-36(19-27-9-3-2-4-10-27)42(61)52-35(38(47)57)13-7-8-18-45/h2-6,9-12,14-17,22-23,25-26,33,35-37,49H,7-8,13,18-21,24,45-46H2,1H3,(H2,47,57)(H,48,50)(H,51,60)(H,52,61)(H,53,59)(H,54,62)(H,55,58)/t26-,33-,35-,36+,37+/m0/s1
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n/an/a 6.06E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242212
PNG
(CHEMBL4085058)
Show SMILES COc1ccc(CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r|
Show InChI InChI=1S/C44H56N12O7/c1-27(51-42(60)38(21-30-23-49-35-13-7-6-12-33(30)35)53-41(59)34(46)22-31-24-48-26-50-31)40(58)55-56(25-29-15-17-32(63-2)18-16-29)44(62)54-37(20-28-10-4-3-5-11-28)43(61)52-36(39(47)57)14-8-9-19-45/h3-7,10-13,15-18,23-24,26-27,34,36-38,49H,8-9,14,19-22,25,45-46H2,1-2H3,(H2,47,57)(H,48,50)(H,51,60)(H,52,61)(H,53,59)(H,54,62)(H,55,58)/t27-,34-,36-,37+,38+/m0/s1
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n/an/a 7.51E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-2 protease in the absence of DMSO

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242213
PNG
(CHEMBL4063430)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C43H53ClN12O6/c1-26(51-41(60)37(20-29-22-49-34-12-6-5-11-32(29)34)53-40(59)33(46)21-31-23-48-25-50-31)39(58)55-56(24-28-14-16-30(44)17-15-28)43(62)54-36(19-27-9-3-2-4-10-27)42(61)52-35(38(47)57)13-7-8-18-45/h2-6,9-12,14-17,22-23,25-26,33,35-37,49H,7-8,13,18-21,24,45-46H2,1H3,(H2,47,57)(H,48,50)(H,51,60)(H,52,61)(H,53,59)(H,54,62)(H,55,58)/t26-,33-,35-,36+,37+/m0/s1
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n/an/a 8.36E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM263256
PNG
(US9708370, 67 ZS555-F40 | US9708370, ZS555-F40)
Show SMILES C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
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n/an/a 9.19E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50395001
PNG
(CHEMBL2163478 | US9708370, DBG-253-1)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C43H54N12O6/c1-27(50-41(59)37(21-30-23-48-34-17-9-8-16-32(30)34)52-40(58)33(45)22-31-24-47-26-49-31)39(57)54-55(25-29-14-6-3-7-15-29)43(61)53-36(20-28-12-4-2-5-13-28)42(60)51-35(38(46)56)18-10-11-19-44/h2-9,12-17,23-24,26-27,33,35-37,48H,10-11,18-22,25,44-45H2,1H3,(H2,46,56)(H,47,49)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,57)/t27-,33-,35-,36+,37+/m0/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242214
PNG
(CHEMBL4080024)
Show SMILES C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccc(Br)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C40H51BrN10O6/c1-24(43)36(53)48-34(21-28-22-45-31-13-7-6-12-30(28)31)38(55)46-25(2)37(54)50-51(23-27-15-17-29(41)18-16-27)40(57)49-33(20-26-10-4-3-5-11-26)39(56)47-32(35(44)52)14-8-9-19-42/h3-7,10-13,15-18,22,24-25,32-34,45H,8-9,14,19-21,23,42-43H2,1-2H3,(H2,44,52)(H,46,55)(H,47,56)(H,48,53)(H,49,57)(H,50,54)/t24-,25-,32-,33+,34+/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50395014
PNG
(CHEMBL2163454 | US9708370, 60 CP-3(iv))
Show SMILES C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C40H52N10O6/c1-25(42)36(52)47-34(22-29-23-44-31-18-10-9-17-30(29)31)38(54)45-26(2)37(53)49-50(24-28-15-7-4-8-16-28)40(56)48-33(21-27-13-5-3-6-14-27)39(55)46-32(35(43)51)19-11-12-20-41/h3-10,13-18,23,25-26,32-34,44H,11-12,19-22,24,41-42H2,1-2H3,(H2,43,51)(H,45,54)(H,46,55)(H,47,52)(H,48,56)(H,49,53)/t25-,26-,32-,33+,34+/m0/s1
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Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242215
PNG
(CHEMBL4103363)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1cccc(O)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C43H54N12O7/c1-26(50-41(60)37(20-29-22-48-34-15-6-5-14-32(29)34)52-40(59)33(45)21-30-23-47-25-49-30)39(58)54-55(24-28-12-9-13-31(56)18-28)43(62)53-36(19-27-10-3-2-4-11-27)42(61)51-35(38(46)57)16-7-8-17-44/h2-6,9-15,18,22-23,25-26,33,35-37,48,56H,7-8,16-17,19-21,24,44-45H2,1H3,(H2,46,57)(H,47,49)(H,50,60)(H,51,61)(H,52,59)(H,53,62)(H,54,58)/t26-,33-,35-,36+,37+/m0/s1
PDB

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UniChem

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Article
PubMed
n/an/a 2.82E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair