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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'zeltser' and Initial = 'i'   
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
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50030211
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34+,35-,36-,37+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-3 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052525
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34-,35-,36+,37-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50030211
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34+,35-,36-,37+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-2 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50030212
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32+,33-,34-,35+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-3 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50030211
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34+,35-,36-,37+/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-1 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50030213
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33+,34-,35-,36+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-2 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50030212
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32+,33-,34-,35+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-2 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50030213
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33+,34-,35-,36+/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-1 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50030214
PNG
((S)-2-{2-[(6R,9S,12R)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32+,33-,34-,35+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-3 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50030213
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33+,34-,35-,36+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-3 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50030214
PNG
((S)-2-{2-[(6R,9S,12R)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32+,33-,34-,35+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-1 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50030214
PNG
((S)-2-{2-[(6R,9S,12R)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32+,33-,34-,35+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-2 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052515
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33-,34-,35+,36-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052516
PNG
((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C48H73N11O8S/c1-32(2)28-37(45(65)56-35(43(49)63)23-27-68-3)55-42(62)31-59-26-13-5-4-12-24-52-40(60)21-14-22-41(61)54-36(20-15-25-53-48(50)51)44(64)57-38(29-33-16-8-6-9-17-33)46(66)58-39(47(59)67)30-34-18-10-7-11-19-34/h6-11,16-19,32,35-39H,4-5,12-15,20-31H2,1-3H3,(H2,49,63)(H,52,60)(H,54,61)(H,55,62)(H,56,65)(H,57,64)(H,58,66)(H4,50,51,53)/t35-,36-,37-,38+,39-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052517
PNG
((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32-,33-,34+,35-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052518
PNG
((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C43H63N11O8S/c1-27(2)23-32(40(60)51-30(38(44)58)18-22-63-3)50-37(57)26-54-21-20-47-35(55)16-17-36(56)49-31(15-10-19-48-43(45)46)39(59)52-33(24-28-11-6-4-7-12-28)41(61)53-34(42(54)62)25-29-13-8-5-9-14-29/h4-9,11-14,27,30-34H,10,15-26H2,1-3H3,(H2,44,58)(H,47,55)(H,49,56)(H,50,57)(H,51,60)(H,52,59)(H,53,61)(H4,45,46,48)/t30-,31-,32-,33+,34-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052519
PNG
(CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...)
Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens(RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052520
PNG
((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C47H71N11O8S/c1-31(2)27-36(44(64)55-34(42(48)62)22-26-67-3)54-41(61)30-58-25-13-5-4-12-23-51-39(59)20-21-40(60)53-35(19-14-24-52-47(49)50)43(63)56-37(28-32-15-8-6-9-16-32)45(65)57-38(46(58)66)29-33-17-10-7-11-18-33/h6-11,15-18,31,34-38H,4-5,12-14,19-30H2,1-3H3,(H2,48,62)(H,51,59)(H,53,60)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H4,49,50,52)/t34-,35-,36-,37+,38-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052518
PNG
((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C43H63N11O8S/c1-27(2)23-32(40(60)51-30(38(44)58)18-22-63-3)50-37(57)26-54-21-20-47-35(55)16-17-36(56)49-31(15-10-19-48-43(45)46)39(59)52-33(24-28-11-6-4-7-12-28)41(61)53-34(42(54)62)25-29-13-8-5-9-14-29/h4-9,11-14,27,30-34H,10,15-26H2,1-3H3,(H2,44,58)(H,47,55)(H,49,56)(H,50,57)(H,51,60)(H,52,59)(H,53,61)(H4,45,46,48)/t30-,31-,32-,33+,34-/m0/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052519
PNG
(CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...)
Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052521
PNG
((S)-2-{2-[{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guani...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(CCCN)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C42H65N11O7S/c1-27(2)23-33(39(58)50-31(37(44)56)18-22-61-4)49-36(55)26-53(21-12-19-43)41(60)35(25-30-15-9-6-10-16-30)52-40(59)34(24-29-13-7-5-8-14-29)51-38(57)32(48-28(3)54)17-11-20-47-42(45)46/h5-10,13-16,27,31-35H,11-12,17-26,43H2,1-4H3,(H2,44,56)(H,48,54)(H,49,55)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,47)/t31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052522
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32-,33-,34+,35-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 3.50E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052523
PNG
((R)-1-{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C42H62N10O7S/c1-26(2)23-32(38(56)48-30(36(43)54)19-22-60-4)50-40(58)35-18-12-21-52(35)41(59)34(25-29-15-9-6-10-16-29)51-39(57)33(24-28-13-7-5-8-14-28)49-37(55)31(47-27(3)53)17-11-20-46-42(44)45/h5-10,13-16,26,30-35H,11-12,17-25H2,1-4H3,(H2,43,54)(H,47,53)(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H4,44,45,46)/t30-,31-,32-,33-,34-,35+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052516
PNG
((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C48H73N11O8S/c1-32(2)28-37(45(65)56-35(43(49)63)23-27-68-3)55-42(62)31-59-26-13-5-4-12-24-52-40(60)21-14-22-41(61)54-36(20-15-25-53-48(50)51)44(64)57-38(29-33-16-8-6-9-17-33)46(66)58-39(47(59)67)30-34-18-10-7-11-19-34/h6-11,16-19,32,35-39H,4-5,12-15,20-31H2,1-3H3,(H2,49,63)(H,52,60)(H,54,61)(H,55,62)(H,56,65)(H,57,64)(H,58,66)(H4,50,51,53)/t35-,36-,37-,38+,39-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052522
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32-,33-,34+,35-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052519
PNG
(CHEMBL265115 | Hexanedioic acid (1-{1-[1-((3-acety...)
Show SMILES CNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(C)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C49H76N12O9S/c1-32(2)28-38(46(68)58-36(44(50)66)23-27-71-5)57-43(65)31-61(26-15-25-54-33(3)62)48(70)40(30-35-18-10-7-11-19-35)60-47(69)39(29-34-16-8-6-9-17-34)59-45(67)37(20-14-24-55-49(51)52)56-42(64)22-13-12-21-41(63)53-4/h6-11,16-19,32,36-40H,12-15,20-31H2,1-5H3,(H2,50,66)(H,53,63)(H,54,62)(H,56,64)(H,57,65)(H,58,68)(H,59,67)(H,60,69)(H4,51,52,55)/t36-,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052525
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34-,35-,36+,37-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052523
PNG
((R)-1-{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C42H62N10O7S/c1-26(2)23-32(38(56)48-30(36(43)54)19-22-60-4)50-40(58)35-18-12-21-52(35)41(59)34(25-29-15-9-6-10-16-29)51-39(57)33(24-28-13-7-5-8-14-28)49-37(55)31(47-27(3)53)17-11-20-46-42(44)45/h5-10,13-16,26,30-35H,11-12,17-25H2,1-4H3,(H2,43,54)(H,47,53)(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H4,44,45,46)/t30-,31-,32-,33-,34-,35+/m0/s1
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n/an/an/an/a>2.00E+5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a>2.00E+5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052524
PNG
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052523
PNG
((R)-1-{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C42H62N10O7S/c1-26(2)23-32(38(56)48-30(36(43)54)19-22-60-4)50-40(58)35-18-12-21-52(35)41(59)34(25-29-15-9-6-10-16-29)51-39(57)33(24-28-13-7-5-8-14-28)49-37(55)31(47-27(3)53)17-11-20-46-42(44)45/h5-10,13-16,26,30-35H,11-12,17-25H2,1-4H3,(H2,43,54)(H,47,53)(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H4,44,45,46)/t30-,31-,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052520
PNG
((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C47H71N11O8S/c1-31(2)27-36(44(64)55-34(42(48)62)22-26-67-3)54-41(61)30-58-25-13-5-4-12-23-51-39(59)20-21-40(60)53-35(19-14-24-52-47(49)50)43(63)56-37(28-32-15-8-6-9-16-32)45(65)57-38(46(58)66)29-33-17-10-7-11-18-33/h6-11,15-18,31,34-38H,4-5,12-14,19-30H2,1-3H3,(H2,48,62)(H,51,59)(H,53,60)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H4,49,50,52)/t34-,35-,36-,37+,38-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052517
PNG
((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32-,33-,34+,35-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052521
PNG
((S)-2-{2-[{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guani...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(CCCN)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C42H65N11O7S/c1-27(2)23-33(39(58)50-31(37(44)56)18-22-61-4)49-36(55)26-53(21-12-19-43)41(60)35(25-30-15-9-6-10-16-30)52-40(59)34(24-29-13-7-5-8-14-29)51-38(57)32(48-28(3)54)17-11-20-47-42(45)46/h5-10,13-16,27,31-35H,11-12,17-26,43H2,1-4H3,(H2,44,56)(H,48,54)(H,49,55)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,47)/t31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052518
PNG
((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C43H63N11O8S/c1-27(2)23-32(40(60)51-30(38(44)58)18-22-63-3)50-37(57)26-54-21-20-47-35(55)16-17-36(56)49-31(15-10-19-48-43(45)46)39(59)52-33(24-28-11-6-4-7-12-28)41(61)53-34(42(54)62)25-29-13-8-5-9-14-29/h4-9,11-14,27,30-34H,10,15-26H2,1-3H3,(H2,44,58)(H,47,55)(H,49,56)(H,50,57)(H,51,60)(H,52,59)(H,53,61)(H4,45,46,48)/t30-,31-,32-,33+,34-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052521
PNG
((S)-2-{2-[{(S)-2-[(S)-2-((S)-2-Acetylamino-5-guani...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(CCCN)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
Show InChI InChI=1S/C42H65N11O7S/c1-27(2)23-33(39(58)50-31(37(44)56)18-22-61-4)49-36(55)26-53(21-12-19-43)41(60)35(25-30-15-9-6-10-16-30)52-40(59)34(24-29-13-7-5-8-14-29)51-38(57)32(48-28(3)54)17-11-20-47-42(45)46/h5-10,13-16,27,31-35H,11-12,17-26,43H2,1-4H3,(H2,44,56)(H,48,54)(H,49,55)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,47)/t31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052517
PNG
((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H66N12O9S/c1-28(2)23-33(42(64)54-31(40(46)62)18-22-67-3)53-39(61)27-57-21-20-49-36(58)16-17-37(59)51-26-38(60)52-32(15-10-19-50-45(47)48)41(63)55-34(24-29-11-6-4-7-12-29)43(65)56-35(44(57)66)25-30-13-8-5-9-14-30/h4-9,11-14,28,31-35H,10,15-27H2,1-3H3,(H2,46,62)(H,49,58)(H,51,59)(H,52,60)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H4,47,48,50)/t31-,32-,33-,34+,35-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052525
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C46H69N11O8S/c1-30(2)26-35(43(63)54-33(41(47)61)21-25-66-3)53-40(60)29-57-24-13-23-50-38(58)19-10-11-20-39(59)52-34(18-12-22-51-46(48)49)42(62)55-36(27-31-14-6-4-7-15-31)44(64)56-37(45(57)65)28-32-16-8-5-9-17-32/h4-9,14-17,30,33-37H,10-13,18-29H2,1-3H3,(H2,47,61)(H,50,58)(H,52,59)(H,53,60)(H,54,63)(H,55,62)(H,56,64)(H4,48,49,51)/t33-,34-,35-,36+,37-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052515
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33-,34-,35+,36-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052515
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C45H67N11O8S/c1-29(2)25-34(42(62)53-32(40(46)60)20-24-65-3)52-39(59)28-56-23-12-22-49-37(57)18-10-19-38(58)51-33(17-11-21-50-45(47)48)41(61)54-35(26-30-13-6-4-7-14-30)43(63)55-36(44(56)64)27-31-15-8-5-9-16-31/h4-9,13-16,29,32-36H,10-12,17-28H2,1-3H3,(H2,46,60)(H,49,57)(H,51,58)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H4,47,48,50)/t32-,33-,34-,35+,36-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50052522
PNG
((S)-2-{2-[(2S,5R,8S)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32-,33-,34+,35-/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-K receptor


(Rattus norvegicus (Rat))		BDBM50052520
PNG
((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C47H71N11O8S/c1-31(2)27-36(44(64)55-34(42(48)62)22-26-67-3)54-41(61)30-58-25-13-5-4-12-23-51-39(59)20-21-40(60)53-35(19-14-24-52-47(49)50)43(63)56-37(28-32-15-8-6-9-16-32)45(65)57-38(46(58)66)29-33-17-10-7-11-18-33/h6-11,15-18,31,34-38H,4-5,12-14,19-30H2,1-3H3,(H2,48,62)(H,51,59)(H,53,60)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H4,49,50,52)/t34-,35-,36-,37+,38-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Rattus norvegicus)		BDBM50052516
PNG
((S)-2-{2-[(3S,6R,9S)-3,6-Dibenzyl-9-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCCCCNC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C48H73N11O8S/c1-32(2)28-37(45(65)56-35(43(49)63)23-27-68-3)55-42(62)31-59-26-13-5-4-12-24-52-40(60)21-14-22-41(61)54-36(20-15-25-53-48(50)51)44(64)57-38(29-33-16-8-6-9-17-33)46(66)58-39(47(59)67)30-34-18-10-7-11-19-34/h6-11,16-19,32,35-39H,4-5,12-15,20-31H2,1-3H3,(H2,49,63)(H,52,60)(H,54,61)(H,55,62)(H,56,65)(H,57,64)(H,58,66)(H4,50,51,53)/t35-,36-,37-,38+,39-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)

J Med Chem 39: 3174-8 (1996)


Article DOI: 10.1021/jm960154i
BindingDB Entry DOI: 10.7270/Q27943SZ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50030212
PNG
((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C44H65N11O8S/c1-28(2)24-33(41(61)52-31(39(45)59)19-23-64-3)51-38(58)27-55-22-11-21-48-36(56)17-18-37(57)50-32(16-10-20-49-44(46)47)40(60)53-34(25-29-12-6-4-7-13-29)42(62)54-35(43(55)63)26-30-14-8-5-9-15-30/h4-9,12-15,28,31-35H,10-11,16-27H2,1-3H3,(H2,45,59)(H,48,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,49)/t31-,32+,33-,34-,35+/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Tested for the biological activity and selectivity against NK-1 receptor

J Med Chem 37: 2145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4PNN
More data for this
Ligand-Target Pair