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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neurokinin 1 receptor' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50049309
PNG
(CHEMBL348976 | N-[(R)-1-{[Acetyl-(2-methoxy-benzyl...)
Show SMILES COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)C1CCCCC1)C(C)=O
Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h6-10,13-15,21,28-29,34H,3-5,11-12,16-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tachykinin receptor 1 in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligand


J Med Chem 39: 736-48 (1996)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Mus musculus)
BDBM50029885
PNG
((3aR,7aR)-2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7...)
Show SMILES COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1
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PC sid
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Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tachykinin receptor 1 in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligand


J Med Chem 39: 736-48 (1996)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Mus musculus)
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against NK-1 receptors in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligand


J Med Chem 39: 736-48 (1996)

More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Mus musculus)
BDBM50049313
PNG
(2-Dimethylamino-N-{3-(1H-indol-3-yl)-2-[2-(4-pheny...)
Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)CN(C)C
Show InChI InChI=1S/C35H44N6O3/c1-38(2)26-35(43)41(23-27-11-7-10-16-33(27)44-3)24-29(21-28-22-36-32-15-9-8-14-31(28)32)37-34(42)25-39-17-19-40(20-18-39)30-12-5-4-6-13-30/h4-16,22,29,36H,17-21,23-26H2,1-3H3,(H,37,42)
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n/an/a 200n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Tachykinin receptor 1 in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligand


J Med Chem 39: 736-48 (1996)

More data for this
Ligand-Target Pair