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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'krause' and Initial = 'k'   
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
D-alanyl-D-alanine dipeptidase


(Enterococcus faecium)
BDBM50335519
PNG
((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Show SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 |r|
Show InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
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6.20E+4n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of D,D-dipeptidase activity Van X in Enterococcus faecium ATCC 51559 using D-alanyl-(R)-phenylthioglycine substrate


Antimicrob Agents Chemother 54: 2814-8 (2010)


Article DOI: 10.1128/AAC.01737-09
BindingDB Entry DOI: 10.7270/Q2TB1751
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108639
PNG
(CHEMBL3596448)
Show SMILES COc1ccc(cc1CO[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1/C21H22F3N5O2/c1-30-17-10-9-16(29-20(21(22,23)24)26-27-28-29)12-15(17)13-31-18-8-5-11-25-19(18)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-19,25H,5,8,11,13H2,1H3/t18-,19-/s2
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n/an/a 0.0300n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108631
PNG
(CHEMBL3596446)
Show SMILES COc1ccc(cc1CO[C@H]1CCCN[C@H]1c1ccccc1)-n1cnnn1 |r|
Show InChI InChI=1/C20H23N5O2/c1-26-18-10-9-17(25-14-22-23-24-25)12-16(18)13-27-19-8-5-11-21-20(19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,19-21H,5,8,11,13H2,1H3/t19-,20-/s2
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n/an/a 0.0500n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108638
PNG
(CHEMBL3596447)
Show SMILES COc1ccc(cc1CO[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C |r|
Show InChI InChI=1/C21H25N5O2/c1-15-23-24-25-26(15)18-10-11-19(27-2)17(13-18)14-28-20-9-6-12-22-21(20)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,20-22H,6,9,12,14H2,1-2H3/t20-,21-/s2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50220136
PNG
(3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(...)
Show SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50106365
PNG
(CHEMBL3596492)
Show SMILES CN1CCC(COCc2cc(cc(c2)C(F)(F)F)-c2ccc(cc2)C#N)(CC1)c1ccccc1
Show InChI InChI=1S/C28H27F3N2O/c1-33-13-11-27(12-14-33,25-5-3-2-4-6-25)20-34-19-22-15-24(17-26(16-22)28(29,30)31)23-9-7-21(18-32)8-10-23/h2-10,15-17H,11-14,19-20H2,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to human NK1 receptor


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106366
PNG
(CHEMBL3596493)
Show SMILES CCN1CCC(COCc2cc(cc(c2)C(F)(F)F)-c2ccc(cc2)C#N)(CC1)c1ccccc1
Show InChI InChI=1S/C29H29F3N2O/c1-2-34-14-12-28(13-15-34,26-6-4-3-5-7-26)21-35-20-23-16-25(18-27(17-23)29(30,31)32)24-10-8-22(19-33)9-11-24/h3-11,16-18H,2,12-15,20-21H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106365
PNG
(CHEMBL3596492)
Show SMILES CN1CCC(COCc2cc(cc(c2)C(F)(F)F)-c2ccc(cc2)C#N)(CC1)c1ccccc1
Show InChI InChI=1S/C28H27F3N2O/c1-33-13-11-27(12-14-33,25-5-3-2-4-6-25)20-34-19-22-15-24(17-26(16-22)28(29,30)31)23-9-7-21(18-32)8-10-23/h2-10,15-17H,11-14,19-20H2,1H3
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n/an/a 0.290n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106358
PNG
(CHEMBL3596485)
Show SMILES Fc1cc(cc(F)c1C#N)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F5N2O/c28-24-13-20(14-25(29)23(24)15-33)19-10-18(11-22(12-19)27(30,31)32)16-35-17-26(6-8-34-9-7-26)21-4-2-1-3-5-21/h1-5,10-14,34H,6-9,16-17H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106367
PNG
(CHEMBL3596494)
Show SMILES CC(C)N1CCC(COCc2cc(cc(c2)C(F)(F)F)-c2ccc(cc2)C#N)(CC1)c1ccccc1
Show InChI InChI=1S/C30H31F3N2O/c1-22(2)35-14-12-29(13-15-35,27-6-4-3-5-7-27)21-36-20-24-16-26(18-28(17-24)30(31,32)33)25-10-8-23(19-34)9-11-25/h3-11,16-18,22H,12-15,20-21H2,1-2H3
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n/an/a 0.390n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106356
PNG
(CHEMBL3596483)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H25F3N2O/c28-27(29,30)25-15-21(14-23(16-25)22-8-6-20(17-31)7-9-22)18-33-19-26(10-12-32-13-11-26)24-4-2-1-3-5-24/h1-9,14-16,32H,10-13,18-19H2
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n/an/a 0.450n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50106356
PNG
(CHEMBL3596483)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H25F3N2O/c28-27(29,30)25-15-21(14-23(16-25)22-8-6-20(17-31)7-9-22)18-33-19-26(10-12-32-13-11-26)24-4-2-1-3-5-24/h1-9,14-16,32H,10-13,18-19H2
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n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106359
PNG
(CHEMBL3596486)
Show SMILES Fc1cc(c(F)cc1C#N)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H23F5N2O/c28-24-14-23(25(29)13-20(24)15-33)19-10-18(11-22(12-19)27(30,31)32)16-35-17-26(6-8-34-9-7-26)21-4-2-1-3-5-21/h1-5,10-14,34H,6-9,16-17H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108630
PNG
(CHEMBL3596482)
Show SMILES COc1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3NO2/c1-32-25-9-7-21(8-10-25)22-15-20(16-24(17-22)27(28,29)30)18-33-19-26(11-13-31-14-12-26)23-5-3-2-4-6-23/h2-10,15-17,31H,11-14,18-19H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106361
PNG
(CHEMBL3596488)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C27H24ClF3N2O/c28-25-15-20(6-7-21(25)16-32)22-12-19(13-24(14-22)27(29,30)31)17-34-18-26(8-10-33-11-9-26)23-4-2-1-3-5-23/h1-7,12-15,33H,8-11,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106357
PNG
(CHEMBL3596484)
Show SMILES Fc1cc(ccc1C#N)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H24F4N2O/c28-25-15-20(6-7-21(25)16-32)22-12-19(13-24(14-22)27(29,30)31)17-34-18-26(8-10-33-11-9-26)23-4-2-1-3-5-23/h1-7,12-15,33H,8-11,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106362
PNG
(CHEMBL3596489)
Show SMILES Cc1cc(ccc1C#N)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N2O/c1-20-13-22(7-8-23(20)17-32)24-14-21(15-26(16-24)28(29,30)31)18-34-19-27(9-11-33-12-10-27)25-5-3-2-4-6-25/h2-8,13-16,33H,9-12,18-19H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108637
PNG
(CHEMBL3596456)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccncc1
Show InChI InChI=1S/C25H25F3N2O/c26-25(27,28)23-15-19(14-21(16-23)20-6-10-29-11-7-20)17-31-18-24(8-12-30-13-9-24)22-4-2-1-3-5-22/h1-7,10-11,14-16,30H,8-9,12-13,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106368
PNG
(CHEMBL3596495)
Show SMILES FC(F)(F)c1cc(COCC2(CCN(CC2)C2CC2)c2ccccc2)cc(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C30H29F3N2O/c31-30(32,33)27-17-23(16-25(18-27)24-8-6-22(19-34)7-9-24)20-36-21-29(26-4-2-1-3-5-26)12-14-35(15-13-29)28-10-11-28/h1-9,16-18,28H,10-15,20-21H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106364
PNG
(CHEMBL3596491)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc(nc1)C#N
Show InChI InChI=1S/C26H24F3N3O/c27-26(28,29)23-13-19(12-21(14-23)20-6-7-24(15-30)32-16-20)17-33-18-25(8-10-31-11-9-25)22-4-2-1-3-5-22/h1-7,12-14,16,31H,8-11,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106369
PNG
(CHEMBL3596496)
Show SMILES FC(F)(F)c1cc(COCC2(CCN(Cc3ccccc3)CC2)c2ccccc2)cc(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C34H31F3N2O/c35-34(36,37)32-20-28(19-30(21-32)29-13-11-26(22-38)12-14-29)24-40-25-33(31-9-5-2-6-10-31)15-17-39(18-16-33)23-27-7-3-1-4-8-27/h1-14,19-21H,15-18,23-25H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106388
PNG
(CHEMBL3596476)
Show SMILES Fc1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F4NO/c27-24-8-6-20(7-9-24)21-14-19(15-23(16-21)26(28,29)30)17-32-18-25(10-12-31-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,31H,10-13,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106386
PNG
(CHEMBL3596474)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H25ClF3NO/c27-24-8-6-20(7-9-24)21-14-19(15-23(16-21)26(28,29)30)17-32-18-25(10-12-31-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,31H,10-13,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108628
PNG
(CHEMBL3596480)
Show SMILES CCOc1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H30F3NO2/c1-2-34-26-10-8-22(9-11-26)23-16-21(17-25(18-23)28(29,30)31)19-33-20-27(12-14-32-15-13-27)24-6-4-3-5-7-24/h3-11,16-18,32H,2,12-15,19-20H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108629
PNG
(CHEMBL3596481)
Show SMILES Oc1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H26F3NO2/c27-26(28,29)23-15-19(14-21(16-23)20-6-8-24(31)9-7-20)17-32-18-25(10-12-30-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,30-31H,10-13,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106391
PNG
(CHEMBL3596479)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)23-15-19(14-21(16-23)20-6-8-24(9-7-20)31(32)33)17-34-18-25(10-12-30-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,30H,10-13,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106360
PNG
(CHEMBL3596487)
Show SMILES Fc1c(F)c(c(F)c(F)c1C#N)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H21F7N2O/c28-22-20(13-35)23(29)25(31)21(24(22)30)17-10-16(11-19(12-17)27(32,33)34)14-37-15-26(6-8-36-9-7-26)18-4-2-1-3-5-18/h1-5,10-12,36H,6-9,14-15H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106380
PNG
(CHEMBL3596468)
Show SMILES Fc1cccc(c1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F4NO/c27-24-8-4-5-20(16-24)21-13-19(14-23(15-21)26(28,29)30)17-32-18-25(9-11-31-12-10-25)22-6-2-1-3-7-22/h1-8,13-16,31H,9-12,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106382
PNG
(CHEMBL3596470)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)23-14-19(13-21(15-23)20-5-4-8-24(16-20)31(32)33)17-34-18-25(9-11-30-12-10-25)22-6-2-1-3-7-22/h1-8,13-16,30H,9-12,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108636
PNG
(CHEMBL3596455)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccccc1
Show InChI InChI=1S/C26H26F3NO/c27-26(28,29)24-16-20(15-22(17-24)21-7-3-1-4-8-21)18-31-19-25(11-13-30-14-12-25)23-9-5-2-6-10-23/h1-10,15-17,30H,11-14,18-19H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106376
PNG
(CHEMBL3596464)
Show SMILES [O-][N+](=O)c1ccccc1-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)22-15-19(14-20(16-22)23-8-4-5-9-24(23)31(32)33)17-34-18-25(10-12-30-13-11-25)21-6-2-1-3-7-21/h1-9,14-16,30H,10-13,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106384
PNG
(CHEMBL3596472)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C27H26F3NO3/c28-27(29,30)23-13-19(12-21(14-23)20-6-7-24-25(15-20)34-18-33-24)16-32-17-26(8-10-31-11-9-26)22-4-2-1-3-5-22/h1-7,12-15,31H,8-11,16-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106363
PNG
(CHEMBL3596490)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc(cn1)C#N
Show InChI InChI=1S/C26H24F3N3O/c27-26(28,29)23-13-20(12-21(14-23)24-7-6-19(15-30)16-32-24)17-33-18-25(8-10-31-11-9-25)22-4-2-1-3-5-22/h1-7,12-14,16,31H,8-11,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106389
PNG
(CHEMBL3596477)
Show SMILES Cc1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3NO/c1-20-7-9-22(10-8-20)23-15-21(16-25(17-23)27(28,29)30)18-32-19-26(11-13-31-14-12-26)24-5-3-2-4-6-24/h2-10,15-17,31H,11-14,18-19H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051456
PNG
(CHEMBL306344 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49N5O/c1-6-7-8-9-10-11-12-13-14-18-24-38-36-32(35-37-38)30(27-20-16-15-17-21-27)33(39)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,39)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholestero...


Bioorg Med Chem Lett 5: 295-300 (1995)


BindingDB Entry DOI: 10.7270/Q29Z94WS
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106383
PNG
(CHEMBL3596471)
Show SMILES Oc1cccc(c1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H26F3NO2/c27-26(28,29)23-14-19(13-21(15-23)20-5-4-8-24(31)16-20)17-32-18-25(9-11-30-12-10-25)22-6-2-1-3-7-22/h1-8,13-16,30-31H,9-12,17-18H2
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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Warner-Lambert Company

Curated by ChEMBL




Bioorg Med Chem Lett 5: 295-300 (1995)


BindingDB Entry DOI: 10.7270/Q29Z94WS
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106387
PNG
(CHEMBL3596475)
Show SMILES COC(=O)c1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H28F3NO3/c1-34-26(33)22-9-7-21(8-10-22)23-15-20(16-25(17-23)28(29,30)31)18-35-19-27(11-13-32-14-12-27)24-5-3-2-4-6-24/h2-10,15-17,32H,11-14,18-19H2,1H3
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106390
PNG
(CHEMBL3596478)
Show SMILES CN(C)c1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N2O/c1-33(2)26-10-8-22(9-11-26)23-16-21(17-25(18-23)28(29,30)31)19-34-20-27(12-14-32-15-13-27)24-6-4-3-5-7-24/h3-11,16-18,32H,12-15,19-20H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450396
PNG
(CHEMBL102912)
Show SMILES CCCCCCCC[C@@H](SCCCCCC)C(=O)Nc1c(SC)cc[n+](C)c1SC
Show InChI InChI=1S/C24H42N2OS3/c1-6-8-10-12-13-14-16-21(30-19-15-11-9-7-2)23(27)25-22-20(28-4)17-18-26(3)24(22)29-5/h17-18,21H,6-16,19H2,1-5H3/p+1/t21-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholestero...


Bioorg Med Chem Lett 5: 295-300 (1995)


BindingDB Entry DOI: 10.7270/Q29Z94WS
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106374
PNG
(CHEMBL3596462)
Show SMILES Fc1ccccc1-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F4NO/c27-24-9-5-4-8-23(24)20-14-19(15-22(16-20)26(28,29)30)17-32-18-25(10-12-31-13-11-25)21-6-2-1-3-7-21/h1-9,14-16,31H,10-13,17-18H2
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106378
PNG
(CHEMBL3596466)
Show SMILES Cc1cccc(c1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H28F3NO/c1-20-6-5-7-22(14-20)23-15-21(16-25(17-23)27(28,29)30)18-32-19-26(10-12-31-13-11-26)24-8-3-2-4-9-24/h2-9,14-17,31H,10-13,18-19H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 24n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL




Bioorg Med Chem Lett 5: 295-300 (1995)


BindingDB Entry DOI: 10.7270/Q29Z94WS
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106381
PNG
(CHEMBL3596469)
Show SMILES Nc1cccc(c1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O/c27-26(28,29)23-14-19(13-21(15-23)20-5-4-8-24(30)16-20)17-32-18-25(9-11-31-12-10-25)22-6-2-1-3-7-22/h1-8,13-16,31H,9-12,17-18,30H2
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106385
PNG
(CHEMBL3596473)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F6NO/c28-26(29,30)23-8-6-20(7-9-23)21-14-19(15-24(16-21)27(31,32)33)17-35-18-25(10-12-34-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,34H,10-13,17-18H2
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108635
PNG
(CHEMBL3596454)
Show SMILES Cn1nnc(n1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O/c1-30-28-20(27-29-30)17-11-16(12-19(13-17)22(23,24)25)14-31-15-21(7-9-26-10-8-21)18-5-3-2-4-6-18/h2-6,11-13,26H,7-10,14-15H2,1H3
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108643
PNG
(CHEMBL3596200)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccccn1
Show InChI InChI=1S/C25H25F3N2O/c26-25(27,28)22-15-19(14-20(16-22)23-8-4-5-11-30-23)17-31-18-24(9-12-29-13-10-24)21-6-2-1-3-7-21/h1-8,11,14-16,29H,9-10,12-13,17-18H2
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n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50108644
PNG
(CHEMBL3596457)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccco1
Show InChI InChI=1S/C24H24F3NO2/c25-24(26,27)21-14-18(13-19(15-21)22-7-4-12-30-22)16-29-17-23(8-10-28-11-9-23)20-5-2-1-3-6-20/h1-7,12-15,28H,8-11,16-17H2
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106379
PNG
(CHEMBL3596467)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H25F3N2O/c28-27(29,30)25-15-21(14-23(16-25)22-6-4-5-20(13-22)17-31)18-33-19-26(9-11-32-12-10-26)24-7-2-1-3-8-24/h1-8,13-16,32H,9-12,18-19H2
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450398
PNG
(CHEMBL100448)
Show SMILES CCCCCCCCCCCCn1nnnc1C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-29(32-33-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholestero...


Bioorg Med Chem Lett 5: 295-300 (1995)


BindingDB Entry DOI: 10.7270/Q29Z94WS
More data for this
Ligand-Target Pair
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