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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'jacobs' and Initial = 'rt'   
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
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50091753
PNG
(CHEMBL405854 | H-Ser-Leu-Arg-Arg-Ser-Ser-cyclic(Cy...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO
Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89+,90+,99-/m0/s1
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0.0590n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50091751
PNG
(CHEMBL411542 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C70H114N24O22S2/c1-8-35(5)55-66(113)83-28-50(98)84-37(7)57(104)88-42(19-20-48(72)96)62(109)92-46(31-95)61(108)82-29-52(100)86-43(23-34(3)4)59(106)81-30-53(101)87-47(68(115)116)33-118-117-32-39(71)58(105)90-44(24-38-15-11-10-12-16-38)60(107)80-26-49(97)79-27-51(99)85-40(17-13-21-77-69(73)74)63(110)94-56(36(6)9-2)67(114)91-45(25-54(102)103)65(112)89-41(64(111)93-55)18-14-22-78-70(75)76/h10-12,15-16,34-37,39-47,55-56,95H,8-9,13-14,17-33,71H2,1-7H3,(H2,72,96)(H,79,97)(H,80,107)(H,81,106)(H,82,108)(H,83,113)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,88,104)(H,89,112)(H,90,105)(H,91,114)(H,92,109)(H,93,111)(H,94,110)(H,102,103)(H,115,116)(H4,73,74,77)(H4,75,76,78)/t35-,36-,37-,39+,40-,41-,42-,43-,44-,45-,46-,47+,55-,56-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens (Human))
BDBM50091751
PNG
(CHEMBL411542 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C70H114N24O22S2/c1-8-35(5)55-66(113)83-28-50(98)84-37(7)57(104)88-42(19-20-48(72)96)62(109)92-46(31-95)61(108)82-29-52(100)86-43(23-34(3)4)59(106)81-30-53(101)87-47(68(115)116)33-118-117-32-39(71)58(105)90-44(24-38-15-11-10-12-16-38)60(107)80-26-49(97)79-27-51(99)85-40(17-13-21-77-69(73)74)63(110)94-56(36(6)9-2)67(114)91-45(25-54(102)103)65(112)89-41(64(111)93-55)18-14-22-78-70(75)76/h10-12,15-16,34-37,39-47,55-56,95H,8-9,13-14,17-33,71H2,1-7H3,(H2,72,96)(H,79,97)(H,80,107)(H,81,106)(H,82,108)(H,83,113)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,88,104)(H,89,112)(H,90,105)(H,91,114)(H,92,109)(H,93,111)(H,94,110)(H,102,103)(H,115,116)(H4,73,74,77)(H4,75,76,78)/t35-,36-,37-,39+,40-,41-,42-,43-,44-,45-,46-,47+,55-,56-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens (Human))
BDBM50091758
PNG
((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...)
Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC
Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-40(58)33(13-10-20-46-43(44)45)50-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-38(56)27(5)48-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,58)(H,48,53)(H,49,57)(H,50,59)(H,51,60)(H,52,56)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50091758
PNG
((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...)
Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC
Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-40(58)33(13-10-20-46-43(44)45)50-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-38(56)27(5)48-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,58)(H,48,53)(H,49,57)(H,50,59)(H,51,60)(H,52,56)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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0.340n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041356
PNG
(1-Ethyl-3-[2-methoxy-4-(toluene-2-sulfonylaminocar...)
Show SMILES CCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2C)c2cc(ccc12)C(=O)NCC(C)CC(F)(F)F
Show InChI InChI=1S/C32H34F3N3O5S/c1-5-38-19-25(26-15-23(12-13-27(26)38)30(39)36-18-20(2)17-32(33,34)35)14-22-10-11-24(16-28(22)43-4)31(40)37-44(41,42)29-9-7-6-8-21(29)3/h6-13,15-16,19-20H,5,14,17-18H2,1-4H3,(H,36,39)(H,37,40)
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0.380n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens (Human))
BDBM50091752
PNG
((S)-3-{(2S,3S)-2-[(S)-5-Guanidino-2-(2-{4-[(naphth...)
Show SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC
Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-38(56)27(5)48-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-40(58)33(13-10-20-46-43(44)45)50-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,56)(H,48,59)(H,49,57)(H,50,53)(H,51,60)(H,52,58)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50091752
PNG
((S)-3-{(2S,3S)-2-[(S)-5-Guanidino-2-(2-{4-[(naphth...)
Show SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC
Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-38(56)27(5)48-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-40(58)33(13-10-20-46-43(44)45)50-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,56)(H,48,59)(H,49,57)(H,50,53)(H,51,60)(H,52,58)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041349
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NC[C@H](C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H32F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-15,18-19H,13,16-17H2,1-4H3,(H,35,38)(H,36,39)/t19-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041357
PNG
(1-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cn1cc(C)c2ccc(cc12)C(=O)NCC(C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H32F3N3O5S/c1-19(15-31(32,33)34)16-35-29(38)22-11-12-25-21(3)17-37(26(25)13-22)18-24-10-9-23(14-27(24)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-14,17,19H,15-16,18H2,1-4H3,(H,35,38)(H,36,39)
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0.440n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50091761
PNG
((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...)
Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC
Show InChI InChI=1S/C46H66N12O8/c1-5-27(3)26-53-41(63)34(13-9-21-51-45(47)48)56-43(65)36(25-38(60)61)57-44(66)39(28(4)6-2)58-42(64)35(14-10-22-52-46(49)50)55-37(59)23-29-15-19-33(20-16-29)54-40(62)32-18-17-30-11-7-8-12-31(30)24-32/h7-8,11-12,15-20,24,27-28,34-36,39H,5-6,9-10,13-14,21-23,25-26H2,1-4H3,(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,47,48,51)(H4,49,50,52)/t27-,28-,34-,35-,36-,39-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens (Human))
BDBM50091757
PNG
(CHEMBL264744 | Cyclic-(Cys-Phe-Gly-Gly-Ala-Ile-Asp...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C67H107N21O22S2/c1-9-33(5)53-64(107)77-26-49(93)78-35(7)55(98)82-40(18-19-46(69)90)61(104)86-44(29-89)60(103)76-27-50(94)80-41(21-32(3)4)58(101)75-28-51(95)81-45(66(109)110)31-112-111-30-38(68)57(100)84-42(22-37-15-12-11-13-16-37)59(102)74-24-47(91)73-25-48(92)79-36(8)56(99)87-54(34(6)10-2)65(108)85-43(23-52(96)97)63(106)83-39(62(105)88-53)17-14-20-72-67(70)71/h11-13,15-16,32-36,38-45,53-54,89H,9-10,14,17-31,68H2,1-8H3,(H2,69,90)(H,73,91)(H,74,102)(H,75,101)(H,76,103)(H,77,107)(H,78,93)(H,79,92)(H,80,94)(H,81,95)(H,82,98)(H,83,106)(H,84,100)(H,85,108)(H,86,104)(H,87,99)(H,88,105)(H,96,97)(H,109,110)(H4,70,71,72)/t33-,34-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,53-,54-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50091757
PNG
(CHEMBL264744 | Cyclic-(Cys-Phe-Gly-Gly-Ala-Ile-Asp...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C67H107N21O22S2/c1-9-33(5)53-64(107)77-26-49(93)78-35(7)55(98)82-40(18-19-46(69)90)61(104)86-44(29-89)60(103)76-27-50(94)80-41(21-32(3)4)58(101)75-28-51(95)81-45(66(109)110)31-112-111-30-38(68)57(100)84-42(22-37-15-12-11-13-16-37)59(102)74-24-47(91)73-25-48(92)79-36(8)56(99)87-54(34(6)10-2)65(108)85-43(23-52(96)97)63(106)83-39(62(105)88-53)17-14-20-72-67(70)71/h11-13,15-16,32-36,38-45,53-54,89H,9-10,14,17-31,68H2,1-8H3,(H2,69,90)(H,73,91)(H,74,102)(H,75,101)(H,76,103)(H,77,107)(H,78,93)(H,79,92)(H,80,94)(H,81,95)(H,82,98)(H,83,106)(H,84,100)(H,85,108)(H,86,104)(H,87,99)(H,88,105)(H,96,97)(H,109,110)(H4,70,71,72)/t33-,34-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,53-,54-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041344
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC(C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H32F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-15,18-19H,13,16-17H2,1-4H3,(H,35,38)(H,36,39)
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0.570n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041336
PNG
(3-[4-(2-Chloro-benzenesulfonylaminocarbonyl)-2-met...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC(C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H29ClF3N3O5S/c1-18(15-30(32,33)34)16-35-28(38)20-10-11-25-23(13-20)22(17-37(25)2)12-19-8-9-21(14-26(19)42-3)29(39)36-43(40,41)27-7-5-4-6-24(27)31/h4-11,13-14,17-18H,12,15-16H2,1-3H3,(H,35,38)(H,36,39)
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0.570n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
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0.600n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens (Human))
BDBM50091753
PNG
(CHEMBL405854 | H-Ser-Leu-Arg-Arg-Ser-Ser-cyclic(Cy...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO
Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89+,90+,99-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50403654
PNG
(CHEMBL2115073)
Show SMILES CCC(O)(CC)C1CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 |r|
Show InChI InChI=1S/C28H38Cl2N2O2/c1-4-28(34,5-2)24-14-17-32(18-15-24)16-13-23(22-11-12-25(29)26(30)19-22)20-31(3)27(33)21-9-7-6-8-10-21/h6-12,19,23-24,34H,4-5,13-18,20H2,1-3H3/t23-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041350
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCCC(C(F)(F)F)C(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H29F6N3O5S/c1-18-6-4-5-7-26(18)46(43,44)39-29(42)21-9-8-19(25(16-21)45-3)14-22-17-40(2)24-11-10-20(15-23(22)24)28(41)38-13-12-27(30(32,33)34)31(35,36)37/h4-11,15-17,27H,12-14H2,1-3H3,(H,38,41)(H,39,42)
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1.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041352
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC1CC(F)(F)C(F)(F)C1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H31F4N3O5S/c1-19-6-4-5-7-28(19)45(42,43)38-30(41)23-9-8-21(27(14-23)44-3)12-24-18-39(2)26-11-10-22(13-25(24)26)29(40)37-17-20-15-31(33,34)32(35,36)16-20/h4-11,13-14,18,20H,12,15-17H2,1-3H3,(H,37,40)(H,38,41)
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1.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071118
PNG
(CHEMBL2111522 | CHEMBL443264 | N-[2-(3,4-Dichloro-...)
Show SMILES CCC(N=O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H33Cl2N3O2/c1-3-25(29-33)19-11-14-31(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-30(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,25H,3,11-16,18H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041339
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NC[C@@H](C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H32F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-15,18-19H,13,16-17H2,1-4H3,(H,35,38)(H,36,39)/t19-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 3


(Homo sapiens (Human))
BDBM50091754
PNG
(Arg-Ser-Ser-cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp-Ar...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC
Show InChI InChI=1S/C64H106N24O20S2/c1-6-31(3)48-59(105)77-26-45(92)78-33(5)50(96)86-43(61(107)108)30-110-109-29-42(85-57(103)41(28-90)84-56(102)40(27-89)83-51(97)35(65)16-11-19-72-62(66)67)58(104)81-38(22-34-14-9-8-10-15-34)52(98)76-24-44(91)75-25-46(93)79-36(17-12-20-73-63(68)69)53(99)88-49(32(4)7-2)60(106)82-39(23-47(94)95)55(101)80-37(54(100)87-48)18-13-21-74-64(70)71/h8-10,14-15,31-33,35-43,48-49,89-90H,6-7,11-13,16-30,65H2,1-5H3,(H,75,91)(H,76,98)(H,77,105)(H,78,92)(H,79,93)(H,80,101)(H,81,104)(H,82,106)(H,83,97)(H,84,102)(H,85,103)(H,86,96)(H,87,100)(H,88,99)(H,94,95)(H,107,108)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42+,43+,48-,49-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.


Bioorg Med Chem Lett 10: 1949-52 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BKQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041353
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES CCCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2C)c2cc(ccc12)C(=O)NCC(C)CC(F)(F)F
Show InChI InChI=1S/C33H36F3N3O5S/c1-5-14-39-20-26(27-16-24(12-13-28(27)39)31(40)37-19-21(2)18-33(34,35)36)15-23-10-11-25(17-29(23)44-4)32(41)38-45(42,43)30-9-7-6-8-22(30)3/h6-13,16-17,20-21H,5,14-15,18-19H2,1-4H3,(H,37,40)(H,38,41)
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1.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
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1.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041348
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NC\C(C)=C/C(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H30F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-16,18H,13,17H2,1-4H3,(H,35,38)(H,36,39)/b19-16-
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2.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50216091
PNG
(CHEMBL2111522)
Show SMILES CC\C(=N\O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
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2.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041360
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC(C)(C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H34F3N3O5S/c1-20-8-6-7-9-28(20)44(41,42)37-30(40)23-11-10-21(27(16-23)43-5)14-24-17-38(4)26-13-12-22(15-25(24)26)29(39)36-19-31(2,3)18-32(33,34)35/h6-13,15-17H,14,18-19H2,1-5H3,(H,36,39)(H,37,40)
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2.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041337
PNG
(3-[4-(2-Bromo-benzenesulfonylaminocarbonyl)-2-meth...)
Show SMILES CCC(CNC(=O)c1ccc2n(C)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3Br)c2c1)CC(F)(F)F
Show InChI InChI=1S/C31H31BrF3N3O5S/c1-4-19(16-31(33,34)35)17-36-29(39)21-11-12-26-24(14-21)23(18-38(26)2)13-20-9-10-22(15-27(20)43-3)30(40)37-44(41,42)28-8-6-5-7-25(28)32/h5-12,14-15,18-19H,4,13,16-17H2,1-3H3,(H,36,39)(H,37,40)
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2.40n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071118
PNG
(CHEMBL2111522 | CHEMBL443264 | N-[2-(3,4-Dichloro-...)
Show SMILES CCC(N=O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H33Cl2N3O2/c1-3-25(29-33)19-11-14-31(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-30(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,25H,3,11-16,18H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50000817
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC1CCCC1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)25-13-12-23(29(18-25)40-3)16-26-20-35(2)28-15-14-24(17-27(26)28)31(36)33-19-22-9-5-6-10-22/h4,7-8,11-15,17-18,20,22H,5-6,9-10,16,19H2,1-3H3,(H,33,36)(H,34,37)
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3.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071125
PNG
(CHEMBL56481 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-e...)
Show SMILES CCC(O)(CC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C28H38Cl2N2O2/c1-4-28(34,5-2)24-14-17-32(18-15-24)16-13-23(22-11-12-25(29)26(30)19-22)20-31(3)27(33)21-9-7-6-8-10-21/h6-12,19,23-24,34H,4-5,13-18,20H2,1-3H3
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3.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071120
PNG
(CHEMBL56788 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-h...)
Show SMILES CCCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C27H36Cl2N2O2/c1-3-7-26(32)20-12-15-31(16-13-20)17-14-23(22-10-11-24(28)25(29)18-22)19-30(2)27(33)21-8-5-4-6-9-21/h4-6,8-11,18,20,23,26,32H,3,7,12-17,19H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041345
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC(=C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H30F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-15,18H,1,13,16-17H2,2-4H3,(H,35,38)(H,36,39)
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3.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041340
PNG
(1-[4-(2-Chloro-benzenesulfonylaminocarbonyl)-2-met...)
Show SMILES COc1cc(ccc1Cn1ccc2ccc(cc12)C(=O)NCC(C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C29H27ClF3N3O5S/c1-18(15-29(31,32)33)16-34-27(37)20-8-7-19-11-12-36(24(19)13-20)17-22-10-9-21(14-25(22)41-2)28(38)35-42(39,40)26-6-4-3-5-23(26)30/h3-14,18H,15-17H2,1-2H3,(H,34,37)(H,35,38)
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4.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041347
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC1(CC(F)(F)F)CC1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H32F3N3O5S/c1-20-6-4-5-7-28(20)44(41,42)37-30(40)23-9-8-21(27(16-23)43-3)14-24-17-38(2)26-11-10-22(15-25(24)26)29(39)36-19-31(12-13-31)18-32(33,34)35/h4-11,15-17H,12-14,18-19H2,1-3H3,(H,36,39)(H,37,40)
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4.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071119
PNG
(CHEMBL56143 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-h...)
Show SMILES CCCC(O)(CCC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C30H42Cl2N2O2/c1-4-16-30(36,17-5-2)26-14-19-34(20-15-26)18-13-25(24-11-12-27(31)28(32)21-24)22-33(3)29(35)23-9-7-6-8-10-23/h6-12,21,25-26,36H,4-5,13-20,22H2,1-3H3
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4.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041341
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES CCC(CC)CNC(=O)c1ccc2n(C)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1
Show InChI InChI=1S/C32H37N3O5S/c1-6-22(7-2)19-33-31(36)24-14-15-28-27(17-24)26(20-35(28)4)16-23-12-13-25(18-29(23)40-5)32(37)34-41(38,39)30-11-9-8-10-21(30)3/h8-15,17-18,20,22H,6-7,16,19H2,1-5H3,(H,33,36)(H,34,37)
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4.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041355
PNG
(1-[4-(2-Chloro-benzenesulfonylaminocarbonyl)-2-met...)
Show SMILES COc1cc(ccc1Cn1cc(C)c2ccc(cc12)C(=O)NCC(C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H29ClF3N3O5S/c1-18(14-30(32,33)34)15-35-28(38)20-10-11-23-19(2)16-37(25(23)12-20)17-22-9-8-21(13-26(22)42-3)29(39)36-43(40,41)27-7-5-4-6-24(27)31/h4-13,16,18H,14-15,17H2,1-3H3,(H,35,38)(H,36,39)
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4.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041338
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES CCCCC(CNC(=O)c1ccc2n(C)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1)C(F)(F)F
Show InChI InChI=1S/C33H36F3N3O5S/c1-5-6-10-26(33(34,35)36)19-37-31(40)23-14-15-28-27(17-23)25(20-39(28)3)16-22-12-13-24(18-29(22)44-4)32(41)38-45(42,43)30-11-8-7-9-21(30)2/h7-9,11-15,17-18,20,26H,5-6,10,16,19H2,1-4H3,(H,37,40)(H,38,41)
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5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041342
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES CCC(C)CNC(=O)c1ccc2n(C)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1
Show InChI InChI=1S/C31H35N3O5S/c1-6-20(2)18-32-30(35)23-13-14-27-26(16-23)25(19-34(27)4)15-22-11-12-24(17-28(22)39-5)31(36)33-40(37,38)29-10-8-7-9-21(29)3/h7-14,16-17,19-20H,6,15,18H2,1-5H3,(H,32,35)(H,33,36)
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5.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041351
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES CCC(CNC(=O)c1ccc2n(C)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1)CC(F)(F)F
Show InChI InChI=1S/C32H34F3N3O5S/c1-5-21(17-32(33,34)35)18-36-30(39)23-12-13-27-26(15-23)25(19-38(27)3)14-22-10-11-24(16-28(22)43-4)31(40)37-44(41,42)29-9-7-6-8-20(29)2/h6-13,15-16,19,21H,5,14,17-18H2,1-4H3,(H,36,39)(H,37,40)
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5.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041343
PNG
(1-Ethyl-3-[2-methoxy-4-(toluene-2-sulfonylaminocar...)
Show SMILES CCC(CNC(=O)c1ccc2n(CC)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1)C(F)(F)F
Show InChI InChI=1S/C32H34F3N3O5S/c1-5-25(32(33,34)35)18-36-30(39)22-13-14-27-26(16-22)24(19-38(27)6-2)15-21-11-12-23(17-28(21)43-4)31(40)37-44(41,42)29-10-8-7-9-20(29)3/h7-14,16-17,19,25H,5-6,15,18H2,1-4H3,(H,36,39)(H,37,40)
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5.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071115
PNG
(CHEMBL58638 | N-[2-(3,4-Dichloro-phenyl)-4-(4-{1-[...)
Show SMILES CC\C(=N/OC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C27H35Cl2N3O2/c1-4-26(30-34-3)20-12-15-32(16-13-20)17-14-23(22-10-11-24(28)25(29)18-22)19-31(2)27(33)21-8-6-5-7-9-21/h5-11,18,20,23H,4,12-17,19H2,1-3H3/b30-26+
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6.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041346
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCCC(C)C(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H32F3N3O5S/c1-19-7-5-6-8-28(19)43(40,41)36-30(39)23-10-9-21(27(17-23)42-4)15-24-18-37(3)26-12-11-22(16-25(24)26)29(38)35-14-13-20(2)31(32,33)34/h5-12,16-18,20H,13-15H2,1-4H3,(H,35,38)(H,36,39)
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7.30n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041354
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCCCC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C30H30F3N3O5S/c1-19-7-4-5-8-27(19)42(39,40)35-29(38)22-10-9-20(26(17-22)41-3)15-23-18-36(2)25-12-11-21(16-24(23)25)28(37)34-14-6-13-30(31,32)33/h4-5,7-12,16-18H,6,13-15H2,1-3H3,(H,34,37)(H,35,38)
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7.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50041358
PNG
(1-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cn1ccc2ccc(cc12)C(=O)NCC(C)CC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C30H30F3N3O5S/c1-19(16-30(31,32)33)17-34-28(37)22-9-8-21-12-13-36(25(21)14-22)18-24-11-10-23(15-26(24)41-3)29(38)35-42(39,40)27-7-5-4-6-20(27)2/h4-15,19H,16-18H2,1-3H3,(H,34,37)(H,35,38)
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7.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071121
PNG
(CHEMBL301437 | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-...)
Show SMILES CN(CC(CCN1CCC(CC1)C(C)(C)O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H34Cl2N2O2/c1-26(2,32)22-12-15-30(16-13-22)14-11-21(20-9-10-23(27)24(28)17-20)18-29(3)25(31)19-7-5-4-6-8-19/h4-10,17,21-22,32H,11-16,18H2,1-3H3
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7.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071122
PNG
(CHEMBL417940 | N-[2-(3,4-Dichloro-phenyl)-4-(4-pro...)
Show SMILES CCC(=O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H32Cl2N2O2/c1-3-25(31)19-11-14-30(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-29(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22H,3,11-16,18H2,1-2H3
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9.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells


Bioorg Med Chem Lett 8: 1935-40 (1999)


BindingDB Entry DOI: 10.7270/Q2J38RPQ
More data for this
Ligand-Target Pair
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