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PubMed code 9784098

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))
BDBM50030589
PNG
(N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C
Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3
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Article
PubMed
n/an/a 0.240n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).


J Med Chem 41: 4232-9 (1998)


Article DOI: 10.1021/jm980042m
BindingDB Entry DOI: 10.7270/Q280538T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50067516
PNG
(7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYR...)
Show SMILES C[C@H](N(C)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H23F6N3O2/c1-15-7-9-17(10-8-15)22-21-6-5-11-35-23(21)25(38)37(4)24(22)26(39)36(3)16(2)18-12-19(27(29,30)31)14-20(13-18)28(32,33)34/h5-14,16H,1-4H3/t16-/m0/s1
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PubMed
n/an/a 0.800n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).


J Med Chem 41: 4232-9 (1998)


Article DOI: 10.1021/jm980042m
BindingDB Entry DOI: 10.7270/Q280538T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50067516
PNG
(7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYR...)
Show SMILES C[C@H](N(C)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H23F6N3O2/c1-15-7-9-17(10-8-15)22-21-6-5-11-35-23(21)25(38)37(4)24(22)26(39)36(3)16(2)18-12-19(27(29,30)31)14-20(13-18)28(32,33)34/h5-14,16H,1-4H3/t16-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).


J Med Chem 41: 4232-9 (1998)


Article DOI: 10.1021/jm980042m
BindingDB Entry DOI: 10.7270/Q280538T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030589
PNG
(N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C
Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3
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PubMed
n/an/a 1.40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).


J Med Chem 41: 4232-9 (1998)


Article DOI: 10.1021/jm980042m
BindingDB Entry DOI: 10.7270/Q280538T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50369396
PNG
(CHEMBL1169534)
Show SMILES C[C@@H](N(C)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C)c1ccccc1 |r|
Show InChI InChI=1S/C26H25N3O2/c1-17-12-14-20(15-13-17)22-21-11-8-16-27-23(21)25(30)29(4)24(22)26(31)28(3)18(2)19-9-6-5-7-10-19/h5-16,18H,1-4H3/t18-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).


J Med Chem 41: 4232-9 (1998)


Article DOI: 10.1021/jm980042m
BindingDB Entry DOI: 10.7270/Q280538T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50067521
PNG
(7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYR...)
Show SMILES C[C@@H](N(C)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H23F6N3O2/c1-15-7-9-17(10-8-15)22-21-6-5-11-35-23(21)25(38)37(4)24(22)26(39)36(3)16(2)18-12-19(27(29,30)31)14-20(13-18)28(32,33)34/h5-14,16H,1-4H3/t16-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).


J Med Chem 41: 4232-9 (1998)


Article DOI: 10.1021/jm980042m
BindingDB Entry DOI: 10.7270/Q280538T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50067521
PNG
(7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYR...)
Show SMILES C[C@@H](N(C)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H23F6N3O2/c1-15-7-9-17(10-8-15)22-21-6-5-11-35-23(21)25(38)37(4)24(22)26(39)36(3)16(2)18-12-19(27(29,30)31)14-20(13-18)28(32,33)34/h5-14,16H,1-4H3/t16-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).


J Med Chem 41: 4232-9 (1998)


Article DOI: 10.1021/jm980042m
BindingDB Entry DOI: 10.7270/Q280538T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50067519
PNG
(7-Methyl-8-oxo-5-p-tolyl-7,8-dihydro-[1,7]naphthyr...)
Show SMILES C[C@H](N(C)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C)c1ccccc1
Show InChI InChI=1S/C26H25N3O2/c1-17-12-14-20(15-13-17)22-21-11-8-16-27-23(21)25(30)29(4)24(22)26(31)28(3)18(2)19-9-6-5-7-10-19/h5-16,18H,1-4H3/t18-/m0/s1
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).


J Med Chem 41: 4232-9 (1998)


Article DOI: 10.1021/jm980042m
BindingDB Entry DOI: 10.7270/Q280538T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%