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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50010879   
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-K receptor


(Homo sapiens (Human))
BDBM50099628
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C35H46N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h3,7-10,15-18,26-27,29H,2,4-6,11-14,19-25H2,1H3,(H,36,40)/t26-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099638
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)N1CCN(Cc2c(nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H42N4O/c1-23(2)36-20-18-35(19-21-36)22-28-30(32(37)33-24(3)25-12-6-4-7-13-25)27-16-10-11-17-29(27)34-31(28)26-14-8-5-9-15-26/h5,8-11,14-17,23-25H,4,6-7,12-13,18-22H2,1-3H3,(H,33,37)/t24-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099631
PNG
(3-(4-Morpholin-4-yl-piperidin-1-ylmethyl)-2-phenyl...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCOCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C34H44N4O2/c1-25(26-10-4-2-5-11-26)35-34(39)32-29-14-8-9-15-31(29)36-33(27-12-6-3-7-13-27)30(32)24-37-18-16-28(17-19-37)38-20-22-40-23-21-38/h3,6-9,12-15,25-26,28H,2,4-5,10-11,16-24H2,1H3,(H,35,39)/t25-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099631
PNG
(3-(4-Morpholin-4-yl-piperidin-1-ylmethyl)-2-phenyl...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCOCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C34H44N4O2/c1-25(26-10-4-2-5-11-26)35-34(39)32-29-14-8-9-15-31(29)36-33(27-12-6-3-7-13-27)30(32)24-37-18-16-28(17-19-37)38-20-22-40-23-21-38/h3,6-9,12-15,25-26,28H,2,4-5,10-11,16-24H2,1H3,(H,35,39)/t25-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099640
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C33H44N4O/c1-24(33(2,3)4)34-32(38)30-27-15-9-10-16-29(27)35-31(25-13-7-5-8-14-25)28(30)23-36-21-17-26(18-22-36)37-19-11-6-12-20-37/h5,7-10,13-16,24,26H,6,11-12,17-23H2,1-4H3,(H,34,38)/t24-/m0/s1
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099637
PNG
(3-(4-Isobutyryl-piperazin-1-ylmethyl)-2-phenyl-qui...)
Show SMILES CC(C)C(=O)N1CCN(Cc2c(nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)-c2ccccc2)CC1
Show InChI InChI=1S/C33H42N4O2/c1-23(2)33(39)37-20-18-36(19-21-37)22-28-30(32(38)34-24(3)25-12-6-4-7-13-25)27-16-10-11-17-29(27)35-31(28)26-14-8-5-9-15-26/h5,8-11,14-17,23-25H,4,6-7,12-13,18-22H2,1-3H3,(H,34,38)/t24-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099643
PNG
(3-(4-Cyclohexyl-piperazin-1-ylmethyl)-2-phenyl-qui...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCN(CC2)C2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N4O/c1-2-32(27-14-6-3-7-15-27)38-36(41)34-30-20-12-13-21-33(30)37-35(28-16-8-4-9-17-28)31(34)26-39-22-24-40(25-23-39)29-18-10-5-11-19-29/h3-4,6-9,12-17,20-21,29,32H,2,5,10-11,18-19,22-26H2,1H3,(H,38,41)/t32-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099632
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)[C@H](NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H40N4O/c1-24(2)32(26-13-7-5-8-14-26)36-34(39)31-28-17-11-12-18-30(28)35-33(27-15-9-6-10-16-27)29(31)23-37-19-21-38(22-20-37)25(3)4/h5-18,24-25,32H,19-23H2,1-4H3,(H,36,39)/t32-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099637
PNG
(3-(4-Isobutyryl-piperazin-1-ylmethyl)-2-phenyl-qui...)
Show SMILES CC(C)C(=O)N1CCN(Cc2c(nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)-c2ccccc2)CC1
Show InChI InChI=1S/C33H42N4O2/c1-23(2)33(39)37-20-18-36(19-21-37)22-28-30(32(38)34-24(3)25-12-6-4-7-13-25)27-16-10-11-17-29(27)35-31(28)26-14-8-5-9-15-26/h5,8-11,14-17,23-25H,4,6-7,12-13,18-22H2,1-3H3,(H,34,38)/t24-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099626
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N4O/c1-2-32(27-14-6-3-7-15-27)38-36(41)34-30-18-10-11-19-33(30)37-35(28-16-8-4-9-17-28)31(34)26-39-24-20-29(21-25-39)40-22-12-5-13-23-40/h3-4,6-11,14-19,29,32H,2,5,12-13,20-26H2,1H3,(H,38,41)/t32-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099632
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)[C@H](NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H40N4O/c1-24(2)32(26-13-7-5-8-14-26)36-34(39)31-28-17-11-12-18-30(28)35-33(27-15-9-6-10-16-27)29(31)23-37-19-21-38(22-20-37)25(3)4/h5-18,24-25,32H,19-23H2,1-4H3,(H,36,39)/t32-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099643
PNG
(3-(4-Cyclohexyl-piperazin-1-ylmethyl)-2-phenyl-qui...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCN(CC2)C2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N4O/c1-2-32(27-14-6-3-7-15-27)38-36(41)34-30-20-12-13-21-33(30)37-35(28-16-8-4-9-17-28)31(34)26-39-22-24-40(25-23-39)29-18-10-5-11-19-29/h3-4,6-9,12-17,20-21,29,32H,2,5,10-11,18-19,22-26H2,1H3,(H,38,41)/t32-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099628
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C35H46N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h3,7-10,15-18,26-27,29H,2,4-6,11-14,19-25H2,1H3,(H,36,40)/t26-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099634
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N4O/c1-4-29(25-13-7-5-8-14-25)35-33(38)31-27-17-11-12-18-30(27)34-32(26-15-9-6-10-16-26)28(31)23-36-19-21-37(22-20-36)24(2)3/h5-18,24,29H,4,19-23H2,1-3H3,(H,35,38)/t29-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099638
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)N1CCN(Cc2c(nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H42N4O/c1-23(2)36-20-18-35(19-21-36)22-28-30(32(37)33-24(3)25-12-6-4-7-13-25)27-16-10-11-17-29(27)34-31(28)26-14-8-5-9-15-26/h5,8-11,14-17,23-25H,4,6-7,12-13,18-22H2,1-3H3,(H,33,37)/t24-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099633
PNG
(3-Dimethylaminomethyl-2-phenyl-quinoline-4-carboxy...)
Show SMILES CC[C@H](NC(=O)c1c(CN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29N3O/c1-4-24(20-13-7-5-8-14-20)30-28(32)26-22-17-11-12-18-25(22)29-27(23(26)19-31(2)3)21-15-9-6-10-16-21/h5-18,24H,4,19H2,1-3H3,(H,30,32)/t24-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099635
PNG
(2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H36N4O/c1-21(22-10-4-2-5-11-22)31-29(34)27-24-14-8-9-15-26(24)32-28(23-12-6-3-7-13-23)25(27)20-33-18-16-30-17-19-33/h3,6-9,12-15,21-22,30H,2,4-5,10-11,16-20H2,1H3,(H,31,34)/t21-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099641
PNG
(3-Dimethylaminomethyl-2-phenyl-quinoline-4-carboxy...)
Show SMILES CC(C)[C@H](NC(=O)c1c(CN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31N3O/c1-20(2)27(21-13-7-5-8-14-21)31-29(33)26-23-17-11-12-18-25(23)30-28(24(26)19-32(3)4)22-15-9-6-10-16-22/h5-18,20,27H,19H2,1-4H3,(H,31,33)/t27-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099635
PNG
(2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H36N4O/c1-21(22-10-4-2-5-11-22)31-29(34)27-24-14-8-9-15-26(24)32-28(23-12-6-3-7-13-23)25(27)20-33-18-16-30-17-19-33/h3,6-9,12-15,21-22,30H,2,4-5,10-11,16-20H2,1H3,(H,31,34)/t21-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099644
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)N1CCN(Cc2c(nc3ccccc3c2C(=O)NC2CCCCC2)-c2ccccc2)CC1
Show InChI InChI=1S/C30H38N4O/c1-22(2)34-19-17-33(18-20-34)21-26-28(30(35)31-24-13-7-4-8-14-24)25-15-9-10-16-27(25)32-29(26)23-11-5-3-6-12-23/h3,5-6,9-12,15-16,22,24H,4,7-8,13-14,17-21H2,1-2H3,(H,31,35)
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4.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099627
PNG
(3-Morpholin-4-ylmethyl-2-phenyl-quinoline-4-carbox...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCOCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H35N3O2/c1-21(22-10-4-2-5-11-22)30-29(33)27-24-14-8-9-15-26(24)31-28(23-12-6-3-7-13-23)25(27)20-32-16-18-34-19-17-32/h3,6-9,12-15,21-22H,2,4-5,10-11,16-20H2,1H3,(H,30,33)/t21-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099626
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N4O/c1-2-32(27-14-6-3-7-15-27)38-36(41)34-30-18-10-11-19-33(30)37-35(28-16-8-4-9-17-28)31(34)26-39-24-20-29(21-25-39)40-22-12-5-13-23-40/h3-4,6-11,14-19,29,32H,2,5,12-13,20-26H2,1H3,(H,38,41)/t32-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099630
PNG
(2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32N4O/c1-2-26(22-11-5-3-6-12-22)33-30(35)28-24-15-9-10-16-27(24)32-29(23-13-7-4-8-14-23)25(28)21-34-19-17-31-18-20-34/h3-16,26,31H,2,17-21H2,1H3,(H,33,35)/t26-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099634
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N4O/c1-4-29(25-13-7-5-8-14-25)35-33(38)31-27-17-11-12-18-30(27)34-32(26-15-9-6-10-16-26)28(31)23-36-19-21-37(22-20-36)24(2)3/h5-18,24,29H,4,19-23H2,1-3H3,(H,35,38)/t29-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099627
PNG
(3-Morpholin-4-ylmethyl-2-phenyl-quinoline-4-carbox...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCOCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H35N3O2/c1-21(22-10-4-2-5-11-22)30-29(33)27-24-14-8-9-15-26(24)31-28(23-12-6-3-7-13-23)25(27)20-32-16-18-34-19-17-32/h3,6-9,12-15,21-22H,2,4-5,10-11,16-20H2,1H3,(H,30,33)/t21-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099636
PNG
(2-Phenyl-3-piperidin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H33N3O/c1-2-27(23-14-6-3-7-15-23)33-31(35)29-25-18-10-11-19-28(25)32-30(24-16-8-4-9-17-24)26(29)22-34-20-12-5-13-21-34/h3-4,6-11,14-19,27H,2,5,12-13,20-22H2,1H3,(H,33,35)/t27-/m0/s1
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7n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099642
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)C(C)NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H38N4O/c1-20(2)22(5)30-29(34)27-24-13-9-10-14-26(24)31-28(23-11-7-6-8-12-23)25(27)19-32-15-17-33(18-16-32)21(3)4/h6-14,20-22H,15-19H2,1-5H3,(H,30,34)
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9.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50099643
PNG
(3-(4-Cyclohexyl-piperazin-1-ylmethyl)-2-phenyl-qui...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCN(CC2)C2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N4O/c1-2-32(27-14-6-3-7-15-27)38-36(41)34-30-20-12-13-21-33(30)37-35(28-16-8-4-9-17-28)31(34)26-39-22-24-40(25-23-39)29-18-10-5-11-19-29/h3-4,6-9,12-17,20-21,29,32H,2,5,10-11,18-19,22-26H2,1H3,(H,38,41)/t32-/m0/s1
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15.8n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099629
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CCC(CC)NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H38N4O/c1-5-23(6-2)30-29(34)27-24-14-10-11-15-26(24)31-28(22-12-8-7-9-13-22)25(27)20-32-16-18-33(19-17-32)21(3)4/h7-15,21,23H,5-6,16-20H2,1-4H3,(H,30,34)
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18.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099630
PNG
(2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32N4O/c1-2-26(22-11-5-3-6-12-22)33-30(35)28-24-15-9-10-16-27(24)32-29(23-13-7-4-8-14-23)25(28)21-34-19-17-31-18-20-34/h3-16,26,31H,2,17-21H2,1H3,(H,33,35)/t26-/m0/s1
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22.2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099625
PNG
(3-(4-Amino-piperidin-1-ylmethyl)-2-phenyl-quinolin...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C30H38N4O/c1-21(22-10-4-2-5-11-22)32-30(35)28-25-14-8-9-15-27(25)33-29(23-12-6-3-7-13-23)26(28)20-34-18-16-24(31)17-19-34/h3,6-9,12-15,21-22,24H,2,4-5,10-11,16-20,31H2,1H3,(H,32,35)/t21-/m0/s1
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31.2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099625
PNG
(3-(4-Amino-piperidin-1-ylmethyl)-2-phenyl-quinolin...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(N)CC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C30H38N4O/c1-21(22-10-4-2-5-11-22)32-30(35)28-25-14-8-9-15-27(25)33-29(23-12-6-3-7-13-23)26(28)20-34-18-16-24(31)17-19-34/h3,6-9,12-15,21-22,24H,2,4-5,10-11,16-20,31H2,1H3,(H,32,35)/t21-/m0/s1
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33n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099641
PNG
(3-Dimethylaminomethyl-2-phenyl-quinoline-4-carboxy...)
Show SMILES CC(C)[C@H](NC(=O)c1c(CN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31N3O/c1-20(2)27(21-13-7-5-8-14-21)31-29(33)26-23-17-11-12-18-25(23)30-28(24(26)19-32(3)4)22-15-9-6-10-16-22/h5-18,20,27H,19H2,1-4H3,(H,31,33)/t27-/m0/s1
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51.6n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50099634
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H38N4O/c1-4-29(25-13-7-5-8-14-25)35-33(38)31-27-17-11-12-18-30(27)34-32(26-15-9-6-10-16-26)28(31)23-36-19-21-37(22-20-36)24(2)3/h5-18,24,29H,4,19-23H2,1-3H3,(H,35,38)/t29-/m0/s1
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98.6n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50099632
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)[C@H](NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H40N4O/c1-24(2)32(26-13-7-5-8-14-26)36-34(39)31-28-17-11-12-18-30(28)35-33(27-15-9-6-10-16-27)29(31)23-37-19-21-38(22-20-37)25(3)4/h5-18,24-25,32H,19-23H2,1-4H3,(H,36,39)/t32-/m0/s1
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120n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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144n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50099635
PNG
(2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H36N4O/c1-21(22-10-4-2-5-11-22)31-29(34)27-24-14-8-9-15-26(24)32-28(23-12-6-3-7-13-23)25(27)20-33-18-16-30-17-19-33/h3,6-9,12-15,21-22,30H,2,4-5,10-11,16-20H2,1H3,(H,31,34)/t21-/m0/s1
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172n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099633
PNG
(3-Dimethylaminomethyl-2-phenyl-quinoline-4-carboxy...)
Show SMILES CC[C@H](NC(=O)c1c(CN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29N3O/c1-4-24(20-13-7-5-8-14-20)30-28(32)26-22-17-11-12-18-25(22)29-27(23(26)19-31(2)3)21-15-9-6-10-16-21/h5-18,24H,4,19H2,1-3H3,(H,30,32)/t24-/m0/s1
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172n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099640
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C33H44N4O/c1-24(33(2,3)4)34-32(38)30-27-15-9-10-16-29(27)35-31(25-13-7-5-8-14-25)28(30)23-36-21-17-26(18-22-36)37-19-11-6-12-20-37/h5,7-10,13-16,24,26H,6,11-12,17-23H2,1-4H3,(H,34,38)/t24-/m0/s1
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193n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50099638
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)N1CCN(Cc2c(nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H42N4O/c1-23(2)36-20-18-35(19-21-36)22-28-30(32(37)33-24(3)25-12-6-4-7-13-25)27-16-10-11-17-29(27)34-31(28)26-14-8-5-9-15-26/h5,8-11,14-17,23-25H,4,6-7,12-13,18-22H2,1-3H3,(H,33,37)/t24-/m0/s1
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195n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50099630
PNG
(2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32N4O/c1-2-26(22-11-5-3-6-12-22)33-30(35)28-24-15-9-10-16-27(24)32-29(23-13-7-4-8-14-23)25(28)21-34-19-17-31-18-20-34/h3-16,26,31H,2,17-21H2,1H3,(H,33,35)/t26-/m0/s1
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203n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50099644
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)N1CCN(Cc2c(nc3ccccc3c2C(=O)NC2CCCCC2)-c2ccccc2)CC1
Show InChI InChI=1S/C30H38N4O/c1-22(2)34-19-17-33(18-20-34)21-26-28(30(35)31-24-13-7-4-8-14-24)25-15-9-10-16-27(25)32-29(26)23-11-5-3-6-12-23/h3,5-6,9-12,15-16,22,24H,4,7-8,13-14,17-21H2,1-2H3,(H,31,35)
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226n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099636
PNG
(2-Phenyl-3-piperidin-1-ylmethyl-quinoline-4-carbox...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H33N3O/c1-2-27(23-14-6-3-7-15-23)33-31(35)29-25-18-10-11-19-28(25)32-30(24-16-8-4-9-17-24)26(29)22-34-20-12-5-13-21-34/h3-4,6-11,14-19,27H,2,5,12-13,20-22H2,1H3,(H,33,35)/t27-/m0/s1
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276n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099642
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)C(C)NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H38N4O/c1-20(2)22(5)30-29(34)27-24-13-9-10-14-26(24)31-28(23-11-7-6-8-12-23)25(27)19-32-15-17-33(18-16-32)21(3)4/h6-14,20-22H,15-19H2,1-5H3,(H,30,34)
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454n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50099639
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C27H34N4O/c1-19(2)28-27(32)25-22-12-8-9-13-24(22)29-26(21-10-6-5-7-11-21)23(25)18-30-14-16-31(17-15-30)20(3)4/h5-13,19-20H,14-18H2,1-4H3,(H,28,32)
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811n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50099626
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N4O/c1-2-32(27-14-6-3-7-15-27)38-36(41)34-30-18-10-11-19-33(30)37-35(28-16-8-4-9-17-28)31(34)26-39-24-20-29(21-25-39)40-22-12-5-13-23-40/h3-4,6-11,14-19,29,32H,2,5,12-13,20-26H2,1H3,(H,38,41)/t32-/m0/s1
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919n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099629
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CCC(CC)NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H38N4O/c1-5-23(6-2)30-29(34)27-24-14-10-11-15-26(24)31-28(22-12-8-7-9-13-22)25(27)20-32-16-18-33(19-17-32)21(3)4/h7-15,21,23H,5-6,16-20H2,1-4H3,(H,30,34)
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1.21E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50099644
PNG
(3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quin...)
Show SMILES CC(C)N1CCN(Cc2c(nc3ccccc3c2C(=O)NC2CCCCC2)-c2ccccc2)CC1
Show InChI InChI=1S/C30H38N4O/c1-22(2)34-19-17-33(18-20-34)21-26-28(30(35)31-24-13-7-4-8-14-24)25-15-9-10-16-27(25)32-29(26)23-11-5-3-6-12-23/h3,5-6,9-12,15-16,22,24H,4,7-8,13-14,17-21H2,1-2H3,(H,31,35)
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1.25E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50099628
PNG
(3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoli...)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C35H46N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h3,7-10,15-18,26-27,29H,2,4-6,11-14,19-25H2,1H3,(H,36,40)/t26-/m0/s1
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1.32E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines


J Med Chem 44: 1675-89 (2001)


Article DOI: 10.1021/jm000501v
BindingDB Entry DOI: 10.7270/Q29C6WQN
More data for this
Ligand-Target Pair
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