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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'hashimoto' and Initial = 't'   
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))
BDBM50419354
PNG
(GR205171A | VOFOPITANT DIHYDROCHLORIDE)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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0.0251n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.870n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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1.48n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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1.62n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM85830
PNG
(VUF5202)
Show SMILES Clc1ccc(CNCCCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)
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2.34n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22912
PNG
(VUF 8328 | VUF8328 | {[3-(1H-imidazol-4-yl)propyl]...)
Show SMILES NC(=N)SCCCc1cnc[nH]1
Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)
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3.31n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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3.80n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22908
PNG
(4( 5)-( 5-aminopenty1)-lH-imidazole | 5-(1H-imidaz...)
Show SMILES NCCCCCc1cnc[nH]1
Show InChI InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)
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5.01n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22908
PNG
(4( 5)-( 5-aminopenty1)-lH-imidazole | 5-(1H-imidaz...)
Show SMILES NCCCCCc1cnc[nH]1
Show InChI InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)
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5.13n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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6.46n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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7.08n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM85832
PNG
(VUF5300)
Show SMILES C(CCN1CCCCC1)CCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3/c1(3-7-13-11-14-12-15-13)4-8-16-9-5-2-6-10-16/h11-12H,1-10H2,(H,14,15)
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8.91n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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9.12n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM85829
PNG
(VUF4903)
Show SMILES C(CCNC1CCCCC1)CCc1cnc[nH]1
Show InChI InChI=1S/C14H25N3/c1-3-7-13(8-4-1)16-10-6-2-5-9-14-11-15-12-17-14/h11-13,16H,1-10H2,(H,15,17)
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10.7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM85828
PNG
(VUF4904)
Show SMILES CC(C)NCCCCCc1cnc[nH]1
Show InChI InChI=1S/C11H21N3/c1-10(2)13-7-5-3-4-6-11-8-12-9-14-11/h8-10,13H,3-7H2,1-2H3,(H,12,14)
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12.9n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM85831
PNG
(VUF5207)
Show SMILES CN(C)CCCCCc1cnc[nH]1
Show InChI InChI=1S/C10H19N3/c1-13(2)7-5-3-4-6-10-8-11-9-12-10/h8-9H,3-7H2,1-2H3,(H,11,12)
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15.5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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47.9n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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66.1n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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77.6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12 |r|
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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5.32E+4n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50247140
PNG
(CHEMBL470328 | TX-2236 | [5-(1-Oxido-1,2,4-benzotr...)
Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3n2)c2ccccc12 |r|
Show InChI InChI=1S/C29H37N7O4/c1-29(2,3)40-28(38)33-23(18-20-19-35(4)24-14-8-6-12-21(20)24)26(37)30-16-10-5-11-17-31-27-32-22-13-7-9-15-25(22)36(39)34-27/h6-9,12-15,19,23H,5,10-11,16-18H2,1-4H3,(H,30,37)(H,33,38)(H,31,32,34)/t23-/m0/s1
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7.63E+4n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50247142
PNG
(CHEMBL470329 | TX-2228 | [4-(1-Oxido-1,2,4-benzotr...)
Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc2n[n+]([O-])c3ccccc3n2)c2ccccc12 |r|
Show InChI InChI=1S/C28H35N7O4/c1-28(2,3)39-27(37)32-22(17-19-18-34(4)23-13-7-5-11-20(19)23)25(36)29-15-9-10-16-30-26-31-21-12-6-8-14-24(21)35(38)33-26/h5-8,11-14,18,22H,9-10,15-17H2,1-4H3,(H,29,36)(H,32,37)(H,30,31,33)/t22-/m0/s1
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8.71E+4n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50247141
PNG
(CHEMBL443424 | TX-2235 | [5-(1,4-Dioxido-1,2,4-ben...)
Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc12 |r|
Show InChI InChI=1S/C29H37N7O5/c1-29(2,3)41-28(38)32-22(18-20-19-34(4)23-13-7-6-12-21(20)23)26(37)30-16-10-5-11-17-31-27-33-36(40)25-15-9-8-14-24(25)35(27)39/h6-9,12-15,19,22H,5,10-11,16-18H2,1-4H3,(H,30,37)(H,31,33)(H,32,38)/t22-/m0/s1
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1.97E+5n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1-10


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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2.35E+5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A10 after 10 mins in presence of UDPGA


Drug Metab Dispos 40: 276-82 (2012)


Article DOI: 10.1124/dmd.111.042614
BindingDB Entry DOI: 10.7270/Q2G162JK
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1-8


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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3.54E+5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A8 after 10 mins in presence of UDPGA


Drug Metab Dispos 40: 276-82 (2012)


Article DOI: 10.1124/dmd.111.042614
BindingDB Entry DOI: 10.7270/Q2G162JK
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50247143
PNG
(CHEMBL513210 | TX-2234 | [4-(1,4-Dioxido-1,2,4-ben...)
Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc12 |r|
Show InChI InChI=1S/C28H35N7O5/c1-28(2,3)40-27(37)31-21(17-19-18-33(4)22-12-6-5-11-20(19)22)25(36)29-15-9-10-16-30-26-32-35(39)24-14-8-7-13-23(24)34(26)38/h5-8,11-14,18,21H,9-10,15-17H2,1-4H3,(H,29,36)(H,30,32)(H,31,37)/t21-/m0/s1
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3.67E+5n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50067935
PNG
((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...)
Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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n/an/a 0.0120n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364189
PNG
(CHEMBL1951813)
Show SMILES C[C@H](N(C)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C26H26F7N3O3/c1-13-8-18(27)4-5-19(13)21-12-36(24(39)22(34)37)7-6-20(21)23(38)35(3)14(2)15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,14,20-21H,6-7,12H2,1-3H3,(H2,34,37)/t14-,20-,21+/m0/s1
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n/an/a 0.0170n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357167
PNG
(CHEMBL1917864)
Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CNC(C)=O)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C25H28F3N7O3/c1-16(36)29-14-23(37)34-11-10-21(20(15-34)17-6-4-3-5-7-17)30-13-18-12-19(8-9-22(18)38-2)35-24(25(26,27)28)31-32-33-35/h3-9,12,20-21,30H,10-11,13-15H2,1-2H3,(H,29,36)/t20-,21-/m0/s1
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n/an/a 0.0170n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364190
PNG
(CHEMBL1951810)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r|
Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357169
PNG
(CHEMBL1917866)
Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCCNC(C)=O)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3N7O3/c1-18(38)31-13-6-9-25(39)36-14-12-23(22(17-36)19-7-4-3-5-8-19)32-16-20-15-21(10-11-24(20)40-2)37-26(27(28,29)30)33-34-35-37/h3-5,7-8,10-11,15,22-23,32H,6,9,12-14,16-17H2,1-2H3,(H,31,38)/t22-,23-/m0/s1
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n/an/a 0.0250n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364202
PNG
(CHEMBL1951626)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccccc1C)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C31H35F6N3O3/c1-19-6-4-5-7-25(19)27-18-40(28(42)22-8-11-39(12-9-22)20(2)41)13-10-26(27)29(43)38(3)17-21-14-23(30(32,33)34)16-24(15-21)31(35,36)37/h4-7,14-16,22,26-27H,8-13,17-18H2,1-3H3/t26-,27+/m0/s1
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n/an/a 0.0320n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364195
PNG
(CHEMBL1951633)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(N)=O |r|
Show InChI InChI=1S/C24H24F7N3O2/c1-13-7-17(25)3-4-18(13)20-12-34(22(32)36)6-5-19(20)21(35)33(2)11-14-8-15(23(26,27)28)10-16(9-14)24(29,30)31/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,32,36)/t19-,20+/m0/s1
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n/an/a 0.0350n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357186
PNG
(CHEMBL1917853)
Show SMILES CCNC(=O)N1CC[C@H](NCc2cc(ccc2OC)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C24H28F3N7O2/c1-3-28-23(35)33-12-11-20(19(15-33)16-7-5-4-6-8-16)29-14-17-13-18(9-10-21(17)36-2)34-22(24(25,26)27)30-31-32-34/h4-10,13,19-20,29H,3,11-12,14-15H2,1-2H3,(H,28,35)/t19-,20-/m0/s1
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n/an/a 0.0390n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364197
PNG
(CHEMBL1951631)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)CNC(C)=O |r|
Show InChI InChI=1S/C27H28F7N3O3/c1-15-8-20(28)4-5-21(15)23-14-37(24(39)12-35-16(2)38)7-6-22(23)25(40)36(3)13-17-9-18(26(29,30)31)11-19(10-17)27(32,33)34/h4-5,8-11,22-23H,6-7,12-14H2,1-3H3,(H,35,38)/t22-,23+/m0/s1
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n/an/a 0.0430n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357159
PNG
(CHEMBL1917856)
Show SMILES CCNC(=O)N1CC[C@H](NCc2cc(ccc2OC2CC2)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30F3N7O2/c1-2-30-25(37)35-13-12-22(21(16-35)17-6-4-3-5-7-17)31-15-18-14-19(8-11-23(18)38-20-9-10-20)36-24(26(27,28)29)32-33-34-36/h3-8,11,14,20-22,31H,2,9-10,12-13,15-16H2,1H3,(H,30,37)/t21-,22-/m0/s1
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n/an/a 0.0440n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364192
PNG
(CHEMBL1951811)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(=O)NO |r|
Show InChI InChI=1S/C25H24F7N3O4/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(36)33-39)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20,39H,5-6,11-12H2,1-2H3,(H,33,36)/t19-,20+/m0/s1
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n/an/a 0.0460n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364198
PNG
(CHEMBL1951630)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C31H34F7N3O3/c1-18-12-24(32)4-5-25(18)27-17-41(28(43)21-6-9-40(10-7-21)19(2)42)11-8-26(27)29(44)39(3)16-20-13-22(30(33,34)35)15-23(14-20)31(36,37)38/h4-5,12-15,21,26-27H,6-11,16-17H2,1-3H3/t26-,27+/m0/s1
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n/an/a 0.0470n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364196
PNG
(CHEMBL1951632)
Show SMILES CNC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F7N3O2/c1-14-8-18(26)4-5-19(14)21-13-35(23(37)33-2)7-6-20(21)22(36)34(3)12-15-9-16(24(27,28)29)11-17(10-15)25(30,31)32/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,33,37)/t20-,21+/m0/s1
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n/an/a 0.0480n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357185
PNG
(CHEMBL1917852)
Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(C)=O)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C23H25F3N6O2/c1-15(33)31-11-10-20(19(14-31)16-6-4-3-5-7-16)27-13-17-12-18(8-9-21(17)34-2)32-22(23(24,25)26)28-29-30-32/h3-9,12,19-20,27H,10-11,13-14H2,1-2H3/t19-,20-/m0/s1
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n/an/a 0.0490n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364190
PNG
(CHEMBL1951810)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1C)C(=O)C(N)=O |r|
Show InChI InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m0/s1
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n/an/a 0.0520n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364199
PNG
(CHEMBL1951629)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C30H32F7N3O3/c1-18(41)39-10-7-21(8-11-39)27(42)40-12-9-25(26(17-40)20-3-5-24(31)6-4-20)28(43)38(2)16-19-13-22(29(32,33)34)15-23(14-19)30(35,36)37/h3-6,13-15,21,25-26H,7-12,16-17H2,1-2H3/t25-,26+/m0/s1
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n/an/a 0.0520n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357168
PNG
(CHEMBL1917865)
Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCNC(C)=O)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C26H30F3N7O3/c1-17(37)30-12-10-24(38)35-13-11-22(21(16-35)18-6-4-3-5-7-18)31-15-19-14-20(8-9-23(19)39-2)36-25(26(27,28)29)32-33-34-36/h3-9,14,21-22,31H,10-13,15-16H2,1-2H3,(H,30,37)/t21-,22-/m0/s1
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n/an/a 0.0540n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357184
PNG
(CHEMBL1917851)
Show SMILES COC(=O)N1CC[C@H](NCc2cc(ccc2OC)-n2nnnc2C(F)(F)F)[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C23H25F3N6O3/c1-34-20-9-8-17(32-21(23(24,25)26)28-29-30-32)12-16(20)13-27-19-10-11-31(22(33)35-2)14-18(19)15-6-4-3-5-7-15/h3-9,12,18-19,27H,10-11,13-14H2,1-2H3/t18-,19-/m0/s1
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n/an/a 0.0540n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357162
PNG
(CHEMBL1917859)
Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)NC1CC1)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C25H28F3N7O2/c1-37-22-10-9-19(35-23(25(26,27)28)31-32-33-35)13-17(22)14-29-21-11-12-34(24(36)30-18-7-8-18)15-20(21)16-5-3-2-4-6-16/h2-6,9-10,13,18,20-21,29H,7-8,11-12,14-15H2,1H3,(H,30,36)/t20-,21-/m0/s1
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n/an/a 0.0560n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357163
PNG
(CHEMBL1917860)
Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)NCC(F)(F)F)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C24H25F6N7O2/c1-39-20-8-7-17(37-21(24(28,29)30)33-34-35-37)11-16(20)12-31-19-9-10-36(22(38)32-14-23(25,26)27)13-18(19)15-5-3-2-4-6-15/h2-8,11,18-19,31H,9-10,12-14H2,1H3,(H,32,38)/t18-,19-/m0/s1
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357165
PNG
(CHEMBL1917862)
Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)C1CN(C1)C(C)=O)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C27H30F3N7O3/c1-17(38)36-14-20(15-36)25(39)35-11-10-23(22(16-35)18-6-4-3-5-7-18)31-13-19-12-21(8-9-24(19)40-2)37-26(27(28,29)30)32-33-34-37/h3-9,12,20,22-23,31H,10-11,13-16H2,1-2H3/t22-,23-/m0/s1
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364201
PNG
(CHEMBL1951627)
Show SMILES CCc1ccccc1[C@H]1CN(CC[C@@H]1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C32H37F6N3O3/c1-4-22-7-5-6-8-26(22)28-19-41(29(43)23-9-12-40(13-10-23)20(2)42)14-11-27(28)30(44)39(3)18-21-15-24(31(33,34)35)17-25(16-21)32(36,37)38/h5-8,15-17,23,27-28H,4,9-14,18-19H2,1-3H3/t27-,28+/m0/s1
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n/an/a 0.0640n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50357167
PNG
(CHEMBL1917864)
Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CNC(C)=O)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C25H28F3N7O3/c1-16(36)29-14-23(37)34-11-10-21(20(15-34)17-6-4-3-5-7-17)30-13-18-12-19(8-9-22(18)38-2)35-24(25(26,27)28)31-32-33-35/h3-9,12,20-21,30H,10-11,13-15H2,1-2H3,(H,29,36)/t20-,21-/m0/s1
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n/an/a 0.0730n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50364194
PNG
(CHEMBL1951634)
Show SMILES CONC(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F7N3O3/c1-14-8-18(26)4-5-19(14)21-13-35(23(37)33-38-3)7-6-20(21)22(36)34(2)12-15-9-16(24(27,28)29)11-17(10-15)25(30,31)32/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,33,37)/t20-,21+/m0/s1
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 962-77 (2012)


Article DOI: 10.1016/j.bmc.2011.11.048
BindingDB Entry DOI: 10.7270/Q2NP24WG
More data for this
Ligand-Target Pair
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