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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'andersson' and Initial = 'a'   
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
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332720
PNG
((S)-1-((4R,7S,10S,13S,16S,19R)-4-amino-16-(2-amino...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se]SC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)NCC(N)=O |r|
Show InChI InChI=1S/C42H66N12O11SSe/c1-5-22(4)35-41(64)48-26(12-13-31(44)56)37(60)50-28(17-32(45)57)38(61)51-29(42(65)54-14-6-7-30(54)40(63)52-34(15-21(2)3)47-18-33(46)58)19-66-67-20-25(43)36(59)49-27(39(62)53-35)16-23-8-10-24(55)11-9-23/h8-11,21-22,25-30,34-35,47,55H,5-7,12-20,43H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,48,64)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,53,62)/t22-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1
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 0.290n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332721
PNG
((S)-N-((S)-1-(2-amino-2-oxoethylamino)-3-methylbut...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CS[Se]C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)NCC(N)=O |r|
Show InChI InChI=1S/C42H66N12O11SSe/c1-5-22(4)35-41(64)48-26(12-13-31(44)56)37(60)50-28(17-32(45)57)38(61)51-29(42(65)54-14-6-7-30(54)40(63)52-34(15-21(2)3)47-18-33(46)58)20-67-66-19-25(43)36(59)49-27(39(62)53-35)16-23-8-10-24(55)11-9-23/h8-11,21-22,25-30,34-35,47,55H,5-7,12-20,43H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,48,64)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,53,62)/t22-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1
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 0.720n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50205990
PNG
(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
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 0.790n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332723
PNG
(CHEMBL1630531 | Cystathionine Oxytocin)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(N)CCSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C44H67N11O13S/c1-5-23(4)36-43(67)49-27(12-13-33(46)57)39(63)51-30(19-34(47)58)40(64)53-31(21-69-16-14-26(45)37(61)50-29(41(65)54-36)18-24-8-10-25(56)11-9-24)44(68)55-15-6-7-32(55)42(66)52-28(17-22(2)3)38(62)48-20-35(59)60/h8-11,22-23,26-32,36,56H,5-7,12-21,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,62)(H,49,67)(H,50,61)(H,51,63)(H,52,66)(H,53,64)(H,54,65)(H,59,60)/t23-,26?,27-,28-,29-,30-,31?,32-,36-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332724
PNG
((S)-N-((S)-1-(2-amino-2-oxoethylamino)-3-methylbut...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Te][Te]C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)NCC(N)=O |r|
Show InChI InChI=1S/C42H66N12O11Te2/c1-5-22(4)35-41(64)48-26(12-13-31(44)56)37(60)50-28(17-32(45)57)38(61)51-29(42(65)54-14-6-7-30(54)40(63)52-34(15-21(2)3)47-18-33(46)58)20-67-66-19-25(43)36(59)49-27(39(62)53-35)16-23-8-10-24(55)11-9-23/h8-11,21-22,25-30,34-35,47,55H,5-7,12-20,43H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,48,64)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,53,62)/t22-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1
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 7.60n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332725
PNG
((S)-N-((S)-1-(2-amino-2-oxoethylamino)-3-methylbut...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se][Se]C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)NCC(N)=O |r|
Show InChI InChI=1S/C42H66N12O11Se2/c1-5-22(4)35-41(64)48-26(12-13-31(44)56)37(60)50-28(17-32(45)57)38(61)51-29(42(65)54-14-6-7-30(54)40(63)52-34(15-21(2)3)47-18-33(46)58)20-67-66-19-25(43)36(59)49-27(39(62)53-35)16-23-8-10-24(55)11-9-23/h8-11,21-22,25-30,34-35,47,55H,5-7,12-20,43H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,48,64)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,53,62)/t22-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1
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 11.8n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50291330
PNG
(1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-car...)
Show SMILES N[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28+,29-,30-,31+,32+,33+,34-/m1/s1
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 12n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332726
PNG
(CHEMBL1630530 | Lanthionine Oxytocin)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(N)CSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C43H65N11O13S/c1-5-22(4)35-42(66)48-26(12-13-32(45)56)38(62)50-29(17-33(46)57)39(63)52-30(20-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-34(58)59/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25?,26-,27-,28-,29-,30?,31-,35-/m0/s1
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 856n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332727
PNG
(CHEMBL1630532 | cyclo(CYIQNCPLG))
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2 |r|
Show InChI InChI=1S/C42H61N11O12S2/c1-5-21(4)32-40(63)47-24(12-13-30(43)55)36(59)52-33(34(44)57)41(64)50-28-19-67-66-18-27(38(61)48-26(37(60)51-32)16-22-8-10-23(54)11-9-22)46-31(56)17-45-35(58)25(15-20(2)3)49-39(62)29-7-6-14-53(29)42(28)65/h8-11,20-21,24-29,32-33,54H,5-7,12-19H2,1-4H3,(H2,43,55)(H2,44,57)(H,45,58)(H,46,56)(H,47,63)(H,48,61)(H,49,62)(H,50,64)(H,51,60)(H,52,59)/t21-,24-,25-,26-,27-,28-,29-,32-,33-/m0/s1
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 1.40E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332726
PNG
(CHEMBL1630530 | Lanthionine Oxytocin)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(N)CSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C43H65N11O13S/c1-5-22(4)35-42(66)48-26(12-13-32(45)56)38(62)50-29(17-33(46)57)39(63)52-30(20-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-34(58)59/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25?,26-,27-,28-,29-,30?,31-,35-/m0/s1
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 1.55E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332728
PNG
(CHEMBL1630533 | cyclo(CYIQNCPLGAGAGAG)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N2 |r|
Show InChI InChI=1S/C58H87N17O18S2/c1-8-28(4)47-57(92)69-34(15-16-41(59)77)52(87)71-37(20-42(60)78)53(88)73-39-26-95-94-25-38(55(90)70-36(54(89)74-47)19-32-11-13-33(76)14-12-32)68-46(82)24-63-50(85)31(7)66-44(80)22-61-48(83)29(5)65-43(79)21-62-49(84)30(6)67-45(81)23-64-51(86)35(18-27(2)3)72-56(91)40-10-9-17-75(40)58(39)93/h11-14,27-31,34-40,47,76H,8-10,15-26H2,1-7H3,(H2,59,77)(H2,60,78)(H,61,83)(H,62,84)(H,63,85)(H,64,86)(H,65,79)(H,66,80)(H,67,81)(H,68,82)(H,69,92)(H,70,90)(H,71,87)(H,72,91)(H,73,88)(H,74,89)/t28-,29+,30-,31-,34-,35-,36-,37-,38-,39+,40-,47-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332729
PNG
((4S,7R,10S,13R,16R,19S)-16-(2-amino-2-oxoethyl)-13...)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)CN |r|
Show InChI InChI=1S/C43H65N11O13S2/c1-5-22(4)35-41(64)50-26(16-23-8-10-24(55)11-9-23)37(60)52-30(43(66)67)20-69-68-19-29(39(62)49-27(17-33(46)57)38(61)48-25(36(59)53-35)12-13-32(45)56)51-40(63)31-7-6-14-54(31)42(65)28(15-21(2)3)47-34(58)18-44/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,58)(H,48,61)(H,49,62)(H,50,64)(H,51,63)(H,52,60)(H,53,59)(H,66,67)/t22-,25-,26-,27-,28-,29-,30-,31-,35+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50332730
PNG
((R)-N-((R)-1-(2-amino-2-oxoethylamino)-3-methylbut...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)NCC(N)=O |r|
Show InChI InChI=1S/C42H66N12O11S2/c1-5-22(4)35-41(64)48-26(12-13-31(44)56)37(60)50-28(17-32(45)57)38(61)51-29(42(65)54-14-6-7-30(54)40(63)52-34(15-21(2)3)47-18-33(46)58)20-67-66-19-25(43)36(59)49-27(39(62)53-35)16-23-8-10-24(55)11-9-23/h8-11,21-22,25-30,34-35,47,55H,5-7,12-20,43H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,48,64)(H,49,59)(H,50,60)(H,51,61)(H,52,63)(H,53,62)/t22-,25-,26-,27-,28-,29-,30-,34-,35-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells

J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391055
PNG
(CHEMBL2088399)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C19H20N2O2S/c1-19(2,3)13-6-4-12(5-7-13)18(23)20-14-8-9-16-15(10-14)21-17(11-22)24-16/h4-10,22H,11H2,1-3H3,(H,20,23)
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n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391031
PNG
(CHEMBL2088393)
Show SMILES CC(C)(C)Oc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C19H20N2O3S/c1-19(2,3)24-14-7-4-12(5-8-14)18(23)20-13-6-9-16-15(10-13)21-17(11-22)25-16/h4-10,22H,11H2,1-3H3,(H,20,23)
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n/an/a 9.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391029
PNG
(CHEMBL2088391)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(cc3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-3-1-9(2-4-10)15(23)20-11-5-6-13-12(7-11)21-14(8-22)24-13/h1-7,22H,8H2,(H,20,23)
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391027
PNG
(CHEMBL2088401)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(Br)cc3)ccc2s1
Show InChI InChI=1S/C15H11BrN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20)
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391025
PNG
(CHEMBL2088398)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(cc3)C(C)(C)C)ccc2s1
Show InChI InChI=1S/C19H20N2OS/c1-12-20-16-11-15(9-10-17(16)23-12)21-18(22)13-5-7-14(8-6-13)19(2,3)4/h5-11H,1-4H3,(H,21,22)
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391032
PNG
(CHEMBL2088394)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C18H18N2O3S/c1-11(2)23-14-6-3-12(4-7-14)18(22)19-13-5-8-16-15(9-13)20-17(10-21)24-16/h3-9,11,21H,10H2,1-2H3,(H,19,22)
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391040
PNG
(CHEMBL2088406)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(OCC(F)(F)F)nc3)ccc2s1
Show InChI InChI=1S/C16H12F3N3O3S/c17-16(18,19)8-25-13-4-1-9(6-20-13)15(24)21-10-2-3-12-11(5-10)22-14(7-23)26-12/h1-6,23H,7-8H2,(H,21,24)
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391052
PNG
(CHEMBL2088419)
Show SMILES CC(C)Oc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)c(C)c1
Show InChI InChI=1S/C19H20N2O3S/c1-11(2)24-14-5-6-15(12(3)8-14)19(23)20-13-4-7-17-16(9-13)21-18(10-22)25-17/h4-9,11,22H,10H2,1-3H3,(H,20,23)
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n/an/a 47n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391037
PNG
(CHEMBL2088403)
Show SMILES CC(C)(C)OCc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C20H22N2O3S/c1-20(2,3)25-12-13-4-6-14(7-5-13)19(24)21-15-8-9-17-16(10-15)22-18(11-23)26-17/h4-10,23H,11-12H2,1-3H3,(H,21,24)
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n/an/a 52n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391053
PNG
(CHEMBL2088420)
Show SMILES Cc1cc(Br)ccc1C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C16H13BrN2O2S/c1-9-6-10(17)2-4-12(9)16(21)18-11-3-5-14-13(7-11)19-15(8-20)22-14/h2-7,20H,8H2,1H3,(H,18,21)
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n/an/a 52n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391026
PNG
(CHEMBL2088400)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2s1
Show InChI InChI=1S/C15H11ClN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20)
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n/an/a 68n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391039
PNG
(CHEMBL2088405)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(nc3)N3CCCCC3)ccc2s1
Show InChI InChI=1S/C19H20N4O2S/c24-12-18-22-15-10-14(5-6-16(15)26-18)21-19(25)13-4-7-17(20-11-13)23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12H2,(H,21,25)
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n/an/a 86n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391051
PNG
(CHEMBL2088418)
Show SMILES Cc1cc(Cl)ccc1C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C16H13ClN2O2S/c1-9-6-10(17)2-4-12(9)16(21)18-11-3-5-14-13(7-11)19-15(8-20)22-14/h2-7,20H,8H2,1H3,(H,18,21)
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n/an/a 86n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391041
PNG
(CHEMBL2088407)
Show SMILES Cn1nc(cc1C(=O)Nc1ccc2sc(CO)nc2c1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2S/c1-21-9(5-11(20-21)14(15,16)17)13(23)18-7-2-3-10-8(4-7)19-12(6-22)24-10/h2-5,22H,6H2,1H3,(H,18,23)
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n/an/a 157n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391028
PNG
(CHEMBL2088390)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(cc3)C#C)ccc2s1
Show InChI InChI=1S/C17H12N2O2S/c1-2-11-3-5-12(6-4-11)17(21)18-13-7-8-15-14(9-13)19-16(10-20)22-15/h1,3-9,20H,10H2,(H,18,21)
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n/an/a 175n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391054
PNG
(CHEMBL2088411)
Show SMILES CC(O)c1nc2cc(NC(=O)c3ccc(cc3)C(C)(C)C)ccc2s1
Show InChI InChI=1S/C20H22N2O2S/c1-12(23)19-22-16-11-15(9-10-17(16)25-19)21-18(24)13-5-7-14(8-6-13)20(2,3)4/h5-12,23H,1-4H3,(H,21,24)
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n/an/a 223n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391038
PNG
(CHEMBL2088404)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(nc3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C15H10F3N3O2S/c16-15(17,18)12-4-1-8(6-19-12)14(23)20-9-2-3-11-10(5-9)21-13(7-22)24-11/h1-6,22H,7H2,(H,20,23)
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n/an/a 417n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391036
PNG
(CHEMBL2088402)
Show SMILES CCOCc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C18H18N2O3S/c1-2-23-11-12-3-5-13(6-4-12)18(22)19-14-7-8-16-15(9-14)20-17(10-21)24-16/h3-9,21H,2,10-11H2,1H3,(H,19,22)
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n/an/a 490n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391043
PNG
(CHEMBL2088409)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2sc(CNS(C)(=O)=O)nc2c1
Show InChI InChI=1S/C20H23N3O3S2/c1-20(2,3)14-7-5-13(6-8-14)19(24)22-15-9-10-17-16(11-15)23-18(27-17)12-21-28(4,25)26/h5-11,21H,12H2,1-4H3,(H,22,24)
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n/an/a 708n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391050
PNG
(CHEMBL2088417)
Show SMILES CC(C)(C)c1ccc(CNc2ccc3sc(CO)nc3c2)cc1
Show InChI InChI=1S/C19H22N2OS/c1-19(2,3)14-6-4-13(5-7-14)11-20-15-8-9-17-16(10-15)21-18(12-22)23-17/h4-10,20,22H,11-12H2,1-3H3
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n/an/a 833n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391042
PNG
(CHEMBL2088408)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2sc(CN)nc2c1
Show InChI InChI=1S/C19H21N3OS/c1-19(2,3)13-6-4-12(5-7-13)18(23)21-14-8-9-16-15(10-14)22-17(11-20)24-16/h4-10H,11,20H2,1-3H3,(H,21,23)
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n/an/a 987n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391033
PNG
(CHEMBL2088395)
Show SMILES CC(C)(C)Oc1cccc(c1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C19H20N2O3S/c1-19(2,3)24-14-6-4-5-12(9-14)18(23)20-13-7-8-16-15(10-13)21-17(11-22)25-16/h4-10,22H,11H2,1-3H3,(H,20,23)
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n/an/a 1.07E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391046
PNG
(CHEMBL2088413)
Show SMILES Cc1ccc(CCNC(=O)c2ccc3sc(CO)nc3c2)cc1
Show InChI InChI=1S/C18H18N2O2S/c1-12-2-4-13(5-3-12)8-9-19-18(22)14-6-7-16-15(10-14)20-17(11-21)23-16/h2-7,10,21H,8-9,11H2,1H3,(H,19,22)
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n/an/a 1.61E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391044
PNG
(CHEMBL2088410)
Show SMILES CC(=O)NCc1nc2cc(NC(=O)c3ccc(cc3)C(C)(C)C)ccc2s1
Show InChI InChI=1S/C21H23N3O2S/c1-13(25)22-12-19-24-17-11-16(9-10-18(17)27-19)23-20(26)14-5-7-15(8-6-14)21(2,3)4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,26)
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n/an/a 2.42E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391049
PNG
(CHEMBL2088416)
Show SMILES OCc1nc2cc(ccc2s1)S(=O)(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N2O3S2/c17-16(18,19)11-3-1-2-10(6-11)8-20-26(23,24)12-4-5-14-13(7-12)21-15(9-22)25-14/h1-7,20,22H,8-9H2
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n/an/a 2.87E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391048
PNG
(CHEMBL2088415)
Show SMILES OCc1nc2cc(ccc2s1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3S2/c16-15(17,18)9-1-3-10(4-2-9)20-25(22,23)11-5-6-13-12(7-11)19-14(8-21)24-13/h1-7,20-21H,8H2
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n/an/a 5.58E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391047
PNG
(CHEMBL2088414)
Show SMILES OCc1nc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2s1
Show InChI InChI=1S/C14H11BrN2O3S2/c15-9-1-4-11(5-2-9)22(19,20)17-10-3-6-13-12(7-10)16-14(8-18)21-13/h1-7,17-18H,8H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391030
PNG
(CHEMBL2088392)
Show SMILES OCc1nc2cc(NC(=O)C3CCC(CC3)C(F)(F)F)ccc2s1 |(8.88,-26.24,;9.64,-27.58,;11.18,-27.58,;12.09,-26.34,;13.55,-26.82,;14.88,-26.04,;16.22,-26.8,;17.55,-26.03,;18.89,-26.79,;18.89,-28.33,;20.22,-26.02,;21.55,-26.79,;22.88,-26.02,;22.87,-24.47,;21.53,-23.71,;20.2,-24.49,;24.2,-23.7,;25.54,-24.46,;24.2,-22.16,;25.53,-22.91,;16.22,-28.35,;14.89,-29.13,;13.55,-28.35,;12.09,-28.83,)|
Show InChI InChI=1S/C16H17F3N2O2S/c17-16(18,19)10-3-1-9(2-4-10)15(23)20-11-5-6-13-12(7-11)21-14(8-22)24-13/h5-7,9-10,22H,1-4,8H2,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391045
PNG
(CHEMBL2088412)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc3sc(CO)nc3c2)cc1
Show InChI InChI=1S/C19H20N2O2S/c1-19(2,3)13-5-7-14(8-6-13)20-18(23)12-4-9-16-15(10-12)21-17(11-22)24-16/h4-10,22H,11H2,1-3H3,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391035
PNG
(CHEMBL2088397)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(CN4CCOCC4)cc3)ccc2s1
Show InChI InChI=1S/C20H21N3O3S/c24-13-19-22-17-11-16(5-6-18(17)27-19)21-20(25)15-3-1-14(2-4-15)12-23-7-9-26-10-8-23/h1-6,11,24H,7-10,12-13H2,(H,21,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391034
PNG
(CHEMBL2088396)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C20H23N3O2S/c1-3-23(4-2)12-14-5-7-15(8-6-14)20(25)21-16-9-10-18-17(11-16)22-19(13-24)26-18/h5-11,24H,3-4,12-13H2,1-2H3,(H,21,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304180
PNG
(2-(8-Aminooctanamido)-5-(3-aminopropoxy)-N-(4-phen...)
Show SMILES NCCCCCCCC(=O)Nc1ccc(OCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H38N4O4/c31-19-8-3-1-2-7-12-29(35)34-28-18-17-26(37-21-9-20-32)22-27(28)30(36)33-23-13-15-25(16-14-23)38-24-10-5-4-6-11-24/h4-6,10-11,13-18,22H,1-3,7-9,12,19-21,31-32H2,(H,33,36)(H,34,35)
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n/an/an/an/a 7.20E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304181
PNG
(5-(4-Aminobutoxy)-2-(6-aminohexanamido)-N-(4-pheno...)
Show SMILES NCCCCCC(=O)Nc1ccc(OCCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H36N4O4/c30-18-6-2-5-11-28(34)33-27-17-16-25(36-20-8-7-19-31)21-26(27)29(35)32-22-12-14-24(15-13-22)37-23-9-3-1-4-10-23/h1,3-4,9-10,12-17,21H,2,5-8,11,18-20,30-31H2,(H,32,35)(H,33,34)
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n/an/an/an/a 9.90E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304182
PNG
(5-(4-Aminobutoxy)-2-(8-aminooctanamido)-N-(4-pheno...)
Show SMILES NCCCCCCCC(=O)Nc1ccc(OCCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H40N4O4/c32-20-8-3-1-2-7-13-30(36)35-29-19-18-27(38-22-10-9-21-33)23-28(29)31(37)34-24-14-16-26(17-15-24)39-25-11-5-4-6-12-25/h4-6,11-12,14-19,23H,1-3,7-10,13,20-22,32-33H2,(H,34,37)(H,35,36)
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n/an/an/an/a 9.00E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304183
PNG
(2-(5-Guanidinopentanamido)-5-(3-guanidinopropoxy)-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)cc1
Show InChI InChI=1S/C29H36N8O4/c30-28(31)34-16-5-4-9-26(38)37-25-15-14-23(40-18-6-17-35-29(32)33)19-24(25)27(39)36-20-10-12-22(13-11-20)41-21-7-2-1-3-8-21/h1-3,7-8,10-15,19H,4-6,9,16-18H2,(H,36,39)(H,37,38)(H4,30,31,34)(H4,32,33,35)
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n/an/an/an/a 1.16E+5n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304184
PNG
(2-(5-Guanidinohexanamido)-5-(3-guanidinopropoxy)-N...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)cc1
Show InChI InChI=1S/C30H38N8O4/c31-29(32)35-17-6-2-5-10-27(39)38-26-16-15-24(41-19-7-18-36-30(33)34)20-25(26)28(40)37-21-11-13-23(14-12-21)42-22-8-3-1-4-9-22/h1,3-4,8-9,11-16,20H,2,5-7,10,17-19H2,(H,37,40)(H,38,39)(H4,31,32,35)(H4,33,34,36)
PDB

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n/an/an/an/a 1.60E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304185
PNG
(2-(5-Guanidino-octanamido)-5-(3-guanidinopropoxy)-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)cc1
Show InChI InChI=1S/C32H42N8O4/c33-31(34)37-19-8-3-1-2-7-12-29(41)40-28-18-17-26(43-21-9-20-38-32(35)36)22-27(28)30(42)39-23-13-15-25(16-14-23)44-24-10-5-4-6-11-24/h4-6,10-11,13-18,22H,1-3,7-9,12,19-21H2,(H,39,42)(H,40,41)(H4,33,34,37)(H4,35,36,38)
PDB

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n/an/an/an/a 1.30E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
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