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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50042174   
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
Substance-P receptor


(Homo sapiens (Human))
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 0.100n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421571
PNG
(CHEMBL111303)
Show SMILES Fc1cc(F)cc(COCC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22F2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2
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n/an/a 0.794n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421552
PNG
(CHEMBL108200)
Show SMILES COc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O2/c1-31-19-4-2-3-16(11-19)20(30-7-5-29-6-8-30)14-32-13-15-9-17(21(23,24)25)12-18(10-15)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3
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n/an/a 1n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421563
PNG
(CHEMBL111176)
Show SMILES Brc1cc(I)cc(COCC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22BrIN2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2
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n/an/a 1.30n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421561
PNG
(CHEMBL419742)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(Cl)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF6N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2
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n/an/a 1.60n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421562
PNG
(CHEMBL108889)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF6N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2
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n/an/a 1.60n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421564
PNG
(CHEMBL107941)
Show SMILES Clc1cc(Cl)cc(COC[C@@H](N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22Cl2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2/t19-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421560
PNG
(CHEMBL108667)
Show SMILES Brc1cc(Br)cc(COC[C@@H](N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2/t19-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421554
PNG
(CHEMBL107875)
Show SMILES Fc1cccc(C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N2CCNCC2)c1F
Show InChI InChI=1S/C21H20F8N2O/c22-17-3-1-2-16(19(17)23)18(31-6-4-30-5-7-31)12-32-11-13-8-14(20(24,25)26)10-15(9-13)21(27,28)29/h1-3,8-10,18,30H,4-7,11-12H2
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n/an/a 3.20n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421564
PNG
(CHEMBL107941)
Show SMILES Clc1cc(Cl)cc(COC[C@@H](N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22Cl2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2/t19-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421573
PNG
(CHEMBL321892)
Show SMILES Fc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C21H21F7N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2
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n/an/a 5n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421556
PNG
(CHEMBL109183)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H20Cl2F6N2O/c22-17-2-1-14(9-18(17)23)19(31-5-3-30-4-6-31)12-32-11-13-7-15(20(24,25)26)10-16(8-13)21(27,28)29/h1-2,7-10,19,30H,3-6,11-12H2
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n/an/a 5n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421567
PNG
(CHEMBL109937)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F6N2O/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-30-14-19(16-4-2-1-3-5-16)29-8-6-28-7-9-29/h1-5,10-12,19,28H,6-9,13-14H2
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n/an/a 5n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421558
PNG
(CHEMBL432627)
Show SMILES COc1c(Br)cc(Br)cc1COCC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H24Br2N2O2/c1-25-20-16(11-17(21)12-18(20)22)13-26-14-19(15-5-3-2-4-6-15)24-9-7-23-8-10-24/h2-6,11-12,19,23H,7-10,13-14H2,1H3
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n/an/a 6.30n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421568
PNG
(CHEMBL108422)
Show SMILES COc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O2/c1-31-20-5-3-2-4-18(20)19(30-8-6-29-7-9-30)14-32-13-15-10-16(21(23,24)25)12-17(11-15)22(26,27)28/h2-5,10-12,19,29H,6-9,13-14H2,1H3
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n/an/a 6.30n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 6.30n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421558
PNG
(CHEMBL432627)
Show SMILES COc1c(Br)cc(Br)cc1COCC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H24Br2N2O2/c1-25-20-16(11-17(21)12-18(20)22)13-26-14-19(15-5-3-2-4-6-15)24-9-7-23-8-10-24/h2-6,11-12,19,23H,7-10,13-14H2,1H3
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n/an/a 7.90n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421555
PNG
(CHEMBL111244)
Show SMILES Clc1cccc(COCC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H23ClN2O/c20-18-8-4-5-16(13-18)14-23-15-19(17-6-2-1-3-7-17)22-11-9-21-10-12-22/h1-8,13,19,21H,9-12,14-15H2
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n/an/a 7.90n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421560
PNG
(CHEMBL108667)
Show SMILES Brc1cc(Br)cc(COC[C@@H](N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2/t19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421553
PNG
(CHEMBL320535)
Show SMILES Fc1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H22F4N2O/c21-18-11-15(10-17(12-18)20(22,23)24)13-27-14-19(16-4-2-1-3-5-16)26-8-6-25-7-9-26/h1-5,10-12,19,25H,6-9,13-14H2
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n/an/a 13n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421566
PNG
(CHEMBL107829)
Show SMILES Brc1cc(Br)cc(COC[C@H](N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2/t19-/m0/s1
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421565
PNG
(CHEMBL107831)
Show SMILES Clc1cc(Cl)cc(COC[C@H](N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22Cl2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2/t19-/m0/s1
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421553
PNG
(CHEMBL320535)
Show SMILES Fc1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H22F4N2O/c21-18-11-15(10-17(12-18)20(22,23)24)13-27-14-19(16-4-2-1-3-5-16)26-8-6-25-7-9-26/h1-5,10-12,19,25H,6-9,13-14H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421563
PNG
(CHEMBL111176)
Show SMILES Brc1cc(I)cc(COCC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22BrIN2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421565
PNG
(CHEMBL107831)
Show SMILES Clc1cc(Cl)cc(COC[C@H](N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22Cl2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2/t19-/m0/s1
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421569
PNG
(CHEMBL108822)
Show SMILES Cc1cc(C)cc(COCC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C21H28N2O/c1-17-12-18(2)14-19(13-17)15-24-16-21(20-6-4-3-5-7-20)23-10-8-22-9-11-23/h3-7,12-14,21-22H,8-11,15-16H2,1-2H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421566
PNG
(CHEMBL107829)
Show SMILES Brc1cc(Br)cc(COC[C@H](N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2/t19-/m0/s1
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421572
PNG
(CHEMBL110086)
Show SMILES CC(C)c1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C24H28F6N2O/c1-16(2)18-4-3-5-19(12-18)22(32-8-6-31-7-9-32)15-33-14-17-10-20(23(25,26)27)13-21(11-17)24(28,29)30/h3-5,10-13,16,22,31H,6-9,14-15H2,1-2H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421570
PNG
(CHEMBL320544)
Show SMILES COc1ccc(cc1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O2/c1-31-19-4-2-16(3-5-19)20(30-8-6-29-7-9-30)14-32-13-15-10-17(21(23,24)25)12-18(11-15)22(26,27)28/h2-5,10-12,20,29H,6-9,13-14H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421559
PNG
(CHEMBL109514)
Show SMILES Fc1ccc(cc1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C21H21F7N2O/c22-18-3-1-15(2-4-18)19(30-7-5-29-6-8-30)13-31-12-14-9-16(20(23,24)25)11-17(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421570
PNG
(CHEMBL320544)
Show SMILES COc1ccc(cc1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O2/c1-31-19-4-2-16(3-5-19)20(30-8-6-29-7-9-30)14-32-13-15-10-17(21(23,24)25)12-18(11-15)22(26,27)28/h2-5,10-12,20,29H,6-9,13-14H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421557
PNG
(CHEMBL111304)
Show SMILES CC(C)(C)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(C)(C)C
Show InChI InChI=1S/C27H40N2O/c1-26(2,3)23-16-21(17-24(18-23)27(4,5)6)19-30-20-25(22-10-8-7-9-11-22)29-14-12-28-13-15-29/h7-11,16-18,25,28H,12-15,19-20H2,1-6H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421559
PNG
(CHEMBL109514)
Show SMILES Fc1ccc(cc1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C21H21F7N2O/c22-18-3-1-15(2-4-18)19(30-7-5-29-6-8-30)13-31-12-14-9-16(20(23,24)25)11-17(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421562
PNG
(CHEMBL108889)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF6N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421556
PNG
(CHEMBL109183)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H20Cl2F6N2O/c22-17-2-1-14(9-18(17)23)19(31-5-3-30-4-6-31)12-32-11-13-7-15(20(24,25)26)10-16(8-13)21(27,28)29/h1-2,7-10,19,30H,3-6,11-12H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421573
PNG
(CHEMBL321892)
Show SMILES Fc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C21H21F7N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421552
PNG
(CHEMBL108200)
Show SMILES COc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O2/c1-31-19-4-2-3-16(11-19)20(30-7-5-29-6-8-30)14-32-13-15-9-17(21(23,24)25)12-18(10-15)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421571
PNG
(CHEMBL111303)
Show SMILES Fc1cc(F)cc(COCC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H22F2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421568
PNG
(CHEMBL108422)
Show SMILES COc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O2/c1-31-20-5-3-2-4-18(20)19(30-8-6-29-7-9-30)14-32-13-15-10-16(21(23,24)25)12-17(11-15)22(26,27)28/h2-5,10-12,19,29H,6-9,13-14H2,1H3
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421567
PNG
(CHEMBL109937)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F6N2O/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-30-14-19(16-4-2-1-3-5-16)29-8-6-28-7-9-29/h1-5,10-12,19,28H,6-9,13-14H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421561
PNG
(CHEMBL419742)
Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(Cl)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21ClF6N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2
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UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421572
PNG
(CHEMBL110086)
Show SMILES CC(C)c1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C24H28F6N2O/c1-16(2)18-4-3-5-19(12-18)22(32-8-6-31-7-9-32)15-33-14-17-10-20(23(25,26)27)13-21(11-17)24(28,29)30/h3-5,10-13,16,22,31H,6-9,14-15H2,1-2H3
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n/an/a 316n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421554
PNG
(CHEMBL107875)
Show SMILES Fc1cccc(C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N2CCNCC2)c1F
Show InChI InChI=1S/C21H20F8N2O/c22-17-3-1-2-16(19(17)23)18(31-6-4-30-5-7-31)12-32-11-13-8-14(20(24,25)26)10-15(9-13)21(27,28)29/h1-3,8-10,18,30H,4-7,11-12H2
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n/an/a 316n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50421555
PNG
(CHEMBL111244)
Show SMILES Clc1cccc(COCC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H23ClN2O/c20-18-8-4-5-16(13-18)14-23-15-19(17-6-2-1-3-7-17)22-11-9-21-10-12-22/h1-8,13,19,21H,9-12,14-15H2
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n/an/a 398n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50421557
PNG
(CHEMBL111304)
Show SMILES CC(C)(C)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(C)(C)C
Show InChI InChI=1S/C27H40N2O/c1-26(2,3)23-16-21(17-24(18-23)27(4,5)6)19-30-20-25(22-10-8-7-9-11-22)29-14-12-28-13-15-29/h7-11,16-18,25,28H,12-15,19-20H2,1-6H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



UCB Pharma SA

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.


Bioorg Med Chem Lett 12: 3195-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5HBF
More data for this
Ligand-Target Pair