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BDBM50542835 CHEMBL4649711

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=UQTCOSRFOINFNG-FSJACQRISA-N

Data: 8 KI  6 EC50

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 14 hits for monomerid = 50542835   
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
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ measured after 90 mins by scintillation counting ...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ measured after 90 mins by scintillation counting ...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human Y5 receptor expressed in human HEC1B cells


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK299 from Y1 receptor in human SK-N-MC cells


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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<3.16E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK299 from Y1 receptor in human SK-N-MC cells


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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<3.16E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human Y5 receptor expressed in human HEC1B cells


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from human Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting anal...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as intracellular calcium mobilization measured for 43 ...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 51n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 assessed as induction of beta-arrestin1 recruitment measured for 40 mins...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 51n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 assessed as induction of beta-arrestin1 recruitment measured for 40 mins...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 38n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 assessed as induction of beta-arrestin2 recruitment measured for 40 mins...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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n/an/an/an/a 38n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 assessed as induction of beta-arrestin2 recruitment measured for 40 mins...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50542835
PNG
(CHEMBL4649711)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 102n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as intracellular calcium mobilization measured for 43 ...


J Med Chem 63: 8198-8215 (2020)

More data for this
Ligand-Target Pair