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PubMed code 1370695

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002373
PNG
(1-(1-ethynyl)-15a,17a-dimethyl-(1R,15aS,17aS)-2,3,...)
Show SMILES C[C@]12CCC3C(CCC4Cc5nc6nc7ccccc7n6cc5C[C@]34C)C1CC[C@@]2(O)C#C
Show InChI InChI=1S/C29H33N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,17,19-22,33H,9-16H2,2-3H3/t19?,20?,21?,22?,27-,28-,29-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002373
PNG
(1-(1-ethynyl)-15a,17a-dimethyl-(1R,15aS,17aS)-2,3,...)
Show SMILES C[C@]12CCC3C(CCC4Cc5nc6nc7ccccc7n6cc5C[C@]34C)C1CC[C@@]2(O)C#C
Show InChI InChI=1S/C29H33N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,17,19-22,33H,9-16H2,2-3H3/t19?,20?,21?,22?,27-,28-,29-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002373
PNG
(1-(1-ethynyl)-15a,17a-dimethyl-(1R,15aS,17aS)-2,3,...)
Show SMILES C[C@]12CCC3C(CCC4Cc5nc6nc7ccccc7n6cc5C[C@]34C)C1CC[C@@]2(O)C#C
Show InChI InChI=1S/C29H33N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,17,19-22,33H,9-16H2,2-3H3/t19?,20?,21?,22?,27-,28-,29-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002384
PNG
(15a,17a-dimethyl-1-vinyl-(1R,15aS,17aS)-2,3,3a,3b,...)
Show SMILES C[C@]12CCC3C(CCC4Cc5nc6nc7ccccc7n6cc5C[C@]34C)C1CC[C@@]2(O)C=C
Show InChI InChI=1S/C29H35N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h4-8,17,19-22,33H,1,9-16H2,2-3H3/t19?,20?,21?,22?,27-,28-,29-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002390
PNG
(15a,17a-dimethyl-1-(1-propynyl)-(1R,15aS,17aS)-2,3...)
Show SMILES CC#C[C@]1(O)CCC2C3CCC4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C30H35N3O/c1-4-13-30(34)15-12-23-21-10-9-20-16-25-19(17-28(20,2)22(21)11-14-29(23,30)3)18-33-26-8-6-5-7-24(26)31-27(33)32-25/h5-8,18,20-23,34H,9-12,14-17H2,1-3H3/t20?,21?,22?,23?,28-,29-,30-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002389
PNG
(1,15a,17a-trimethyl-(1S,15aS,17aS)-2,3,3a,3b,4,5,5...)
Show SMILES C[C@]1(O)CCC2C3CCC4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C28H35N3O/c1-26-15-17-16-31-24-7-5-4-6-22(24)29-25(31)30-23(17)14-18(26)8-9-19-20(26)10-12-27(2)21(19)11-13-28(27,3)32/h4-7,16,18-21,32H,8-15H2,1-3H3/t18?,19?,20?,21?,26-,27-,28-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002375
PNG
(15a,17a-dimethyl-(1S,15aS,17aS)-2,3,3a,3b,4,5,5a,6...)
Show SMILES C[C@]12CCC3C(CCC4Cc5nc6nc7ccccc7n6cc5C[C@]34C)C1CC[C@@H]2O
Show InChI InChI=1S/C27H33N3O/c1-26-12-11-20-18(19(26)9-10-24(26)31)8-7-17-13-22-16(14-27(17,20)2)15-30-23-6-4-3-5-21(23)28-25(30)29-22/h3-6,15,17-20,24,31H,7-14H2,1-2H3/t17?,18?,19?,20?,24-,26-,27-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002378
PNG
(1-(1-ethynyl)-17a,19a-dimethyl-(1R,5aS,17aS,19aS)-...)
Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5nc6nc7cc8ccccc8cc7n6cc5C[C@]34C)C1CC[C@@]2(O)C#C
Show InChI InChI=1S/C33H35N3O/c1-4-33(37)14-12-26-24-10-9-23-17-27-22(18-31(23,2)25(24)11-13-32(26,33)3)19-36-29-16-21-8-6-5-7-20(21)15-28(29)35-30(36)34-27/h1,5-8,15-16,19,23-26,37H,9-14,17-18H2,2-3H3/t23-,24?,25?,26?,31-,32-,33-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002377
PNG
(15a,17a-dimethyl-1-(2-propynyl)-(1R,15aS,17aS)-2,3...)
Show SMILES C[C@]12CCC3C(CCC4Cc5nc6nc7ccccc7n6cc5C[C@]34C)C1CC[C@@]2(O)CC#C
Show InChI InChI=1S/C30H35N3O/c1-4-13-30(34)15-12-23-21-10-9-20-16-25-19(17-28(20,2)22(21)11-14-29(23,30)3)18-33-26-8-6-5-7-24(26)31-27(33)32-25/h1,5-8,18,20-23,34H,9-17H2,2-3H3/t20?,21?,22?,23?,28-,29-,30-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002382
PNG
(1-(1-ethynyl)-1-hydroxy-16a,18a-dimethyl-(1R,5aS,1...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nc6nc7ccccc7c(=O)n6cc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C30H33N3O2/c1-4-30(35)14-12-23-20-10-9-19-15-25-18(16-28(19,2)22(20)11-13-29(23,30)3)17-33-26(34)21-7-5-6-8-24(21)31-27(33)32-25/h1,5-8,17,19-20,22-23,35H,9-16H2,2-3H3/t19-,20+,22-,23-,28-,29-,30-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002394
PNG
(1-(1-ethynyl)-13a,15a-dimethyl-(1R,5aS,13aS,15aS)-...)
Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5nc6nccn6cc5C[C@]34C)C1CC[C@@]2(O)C#C
Show InChI InChI=1S/C25H31N3O/c1-4-25(29)10-8-20-18-6-5-17-13-21-16(15-28-12-11-26-22(28)27-21)14-23(17,2)19(18)7-9-24(20,25)3/h1,11-12,15,17-20,29H,5-10,13-14H2,2-3H3/t17-,18?,19?,20?,23-,24-,25-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002396
PNG
(CHEMBL125109 | methyl 4-[4,17-dihydroxy-15a,17a-di...)
Show SMILES COC(=O)CCC(C)[C@H]1CCC2C3[C@H](O)CC4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)C3C[C@H](O)[C@]12C
Show InChI InChI=1S/C33H43N3O4/c1-18(9-12-29(39)40-4)21-10-11-22-30-23(15-28(38)33(21,22)3)32(2)16-19-17-36-26-8-6-5-7-24(26)34-31(36)35-25(19)13-20(32)14-27(30)37/h5-8,17-18,20-23,27-28,30,37-38H,9-16H2,1-4H3/t18?,20?,21-,22?,23?,27-,28+,30?,32+,33-/m1/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002391
PNG
(1-ethyl-15a,17a-dimethyl-(1S,15aS,17aS)-2,3,3a,3b,...)
Show SMILES CC[C@]1(O)CCC2C3CCC4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C29H37N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h5-8,17,19-22,33H,4,9-16H2,1-3H3/t19?,20?,21?,22?,27-,28-,29-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002392
PNG
(1-(1,5-dimethylhexyl)-15a,17a-dimethyl-(15aS,17aR)...)
Show SMILES CC(C)CCCC(C)[C@@H]1CCC2C3CCC4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C35H49N3/c1-22(2)9-8-10-23(3)27-15-16-28-26-14-13-25-19-31-24(20-35(25,5)29(26)17-18-34(27,28)4)21-38-32-12-7-6-11-30(32)36-33(38)37-31/h6-7,11-12,21-23,25-29H,8-10,13-20H2,1-5H3/t23?,25?,26?,27-,28?,29?,34+,35-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002388
PNG
(15a,17a-dimethyl-(15aS,17aS)-2,3,3a,3b,4,5,5a,6,15...)
Show SMILES C[C@]12CCC3C(CCC4Cc5nc6nc7ccccc7n6cc5C[C@]34C)C1CCC2=O
Show InChI InChI=1S/C27H31N3O/c1-26-12-11-20-18(19(26)9-10-24(26)31)8-7-17-13-22-16(14-27(17,20)2)15-30-23-6-4-3-5-21(23)28-25(30)29-22/h3-6,15,17-20H,7-14H2,1-2H3/t17?,18?,19?,20?,26-,27-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002393
PNG
(11a-methyl-11-vinyl-(11aS)-7,7a,8,9,11a,12-hexahyd...)
Show SMILES C[C@]12Cc3cn4c(nc5ccccc45)nc3CC1CCC=C2C=C
Show InChI InChI=1S/C21H21N3/c1-3-15-7-6-8-16-11-18-14(12-21(15,16)2)13-24-19-10-5-4-9-17(19)22-20(24)23-18/h3-5,7,9-10,13,16H,1,6,8,11-12H2,2H3/t16?,21-/m1/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002385
PNG
(1-(1-ethynyl)-15a,17a-dimethyl-(1R,5aS,15aS,17aS)-...)
Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5nc6cc7ccccc7n6cc5C[C@]34C)C1CC[C@@]2(O)C#C
Show InChI InChI=1S/C30H34N2O/c1-4-30(33)14-12-24-22-10-9-21-16-25-20(17-28(21,2)23(22)11-13-29(24,30)3)18-32-26-8-6-5-7-19(26)15-27(32)31-25/h1,5-8,15,18,21-24,33H,9-14,16-17H2,2-3H3/t21-,22?,23?,24?,28-,29-,30-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002376
PNG
(4-[4,17-dihydroxy-15a,17a-dimethyl-(4R,15aS,17S,17...)
Show SMILES CC(CCC(O)=O)[C@H]1CCC2C3[C@H](O)CC4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)C3C[C@H](O)[C@]12C
Show InChI InChI=1S/C32H41N3O4/c1-17(8-11-28(38)39)20-9-10-21-29-22(14-27(37)32(20,21)3)31(2)15-18-16-35-25-7-5-4-6-23(25)33-30(35)34-24(18)12-19(31)13-26(29)36/h4-7,16-17,19-22,26-27,29,36-37H,8-15H2,1-3H3,(H,38,39)/t17?,19?,20-,21?,22?,26-,27+,29?,31+,32-/m1/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002386
PNG
(CHEMBL125493 | methyl 15a,17a-dimethyl-(1S,15aS,17...)
Show SMILES COC(=O)[C@H]1CCC2C3CCC4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C29H35N3O2/c1-28-13-12-21-19(20(28)10-11-22(28)26(33)34-3)9-8-18-14-24-17(15-29(18,21)2)16-32-25-7-5-4-6-23(25)30-27(32)31-24/h4-7,16,18-22H,8-15H2,1-3H3/t18?,19?,20?,21?,22-,28+,29+/m1/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002383
PNG
(15a,17a-dimethyl-1-phenyl-(1S,15aS,17aS)-2,3,3a,3b...)
Show SMILES C[C@]12CCC3C(CCC4Cc5nc6nc7ccccc7n6cc5C[C@]34C)C1CC[C@@]2(O)c1ccccc1
Show InChI InChI=1S/C33H37N3O/c1-31-19-21-20-36-29-11-7-6-10-27(29)34-30(36)35-28(21)18-23(31)12-13-24-25(31)14-16-32(2)26(24)15-17-33(32,37)22-8-4-3-5-9-22/h3-11,20,23-26,37H,12-19H2,1-2H3/t23?,24?,25?,26?,31-,32-,33+/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002381
PNG
(1-(1-ethynyl)-1-methoxy-15a,17a-dimethyl-(1R,15aS,...)
Show SMILES CO[C@]1(CCC2C3CCC4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)C3CC[C@]12C)C#C
Show InChI InChI=1S/C30H35N3O/c1-5-30(34-4)15-13-23-21-11-10-20-16-25-19(17-28(20,2)22(21)12-14-29(23,30)3)18-33-26-9-7-6-8-24(26)31-27(33)32-25/h1,6-9,18,20-23H,10-17H2,2-4H3/t20?,21?,22?,23?,28-,29-,30-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002372
PNG
(1,2,3,4-tetrahydrobenzo[4,5]imidazo[2,1-b]quinazol...)
Show SMILES C1CCc2nc3nc4ccccc4n3cc2C1
Show InChI InChI=1S/C14H13N3/c1-2-6-11-10(5-1)9-17-13-8-4-3-7-12(13)16-14(17)15-11/h3-4,7-9H,1-2,5-6H2
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002397
PNG
(2,4-dimethylbenzo[4,5]imidazo[1,2-a]pyrimidine | C...)
Show SMILES Cc1cc(C)n2c(nc3ccccc23)n1
Show InChI InChI=1S/C12H11N3/c1-8-7-9(2)15-11-6-4-3-5-10(11)14-12(15)13-8/h3-7H,1-2H3
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002395
PNG
(1-(1-ethynyl)-14a,16a-dimethyl-(1R,5aS,14aS,16aS)-...)
Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5nc6[nH]c7ccccc7c6cc5C[C@]34C)C1CC[C@@]2(O)C#C
Show InChI InChI=1S/C30H34N2O/c1-4-30(33)14-12-24-21-10-9-19-16-26-18(17-28(19,2)23(21)11-13-29(24,30)3)15-22-20-7-5-6-8-25(20)31-27(22)32-26/h1,5-8,15,19,21,23-24,33H,9-14,16-17H2,2-3H3,(H,31,32)/t19-,21?,23?,24?,28-,29-,30-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002380
PNG
(15a,17a-dimethyl-(1S,15aS,17aS)-2,3,3a,3b,4,5,5a,6...)
Show SMILES C[C@]12CCC3C(CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]34C)C1CC[C@@H]2O
Show InChI InChI=1S/C27H33N3O/c1-26-12-11-20-18(19(26)9-10-24(26)31)8-7-17-13-22-16(14-27(17,20)2)15-30-23-6-4-3-5-21(23)28-25(30)29-22/h3-6,15,17-20,24,31H,7-14H2,1-2H3/t17-,18?,19?,20?,24+,26+,27+/m1/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002379
PNG
(15a,17a-dimethyl-(15aS,17aS)-2,3,3a,3b,4,5,5a,6,15...)
Show SMILES C[C@@]12CCCC1C1CCC3Cc4nc5nc6ccccc6n5cc4C[C@]3(C)C1CC2
Show InChI InChI=1S/C27H33N3/c1-26-12-5-6-20(26)19-10-9-18-14-23-17(15-27(18,2)21(19)11-13-26)16-30-24-8-4-3-7-22(24)28-25(30)29-23/h3-4,7-8,16,18-21H,5-6,9-15H2,1-2H3/t18?,19?,20?,21?,26-,27-/m0/s1
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Rochester

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%