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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'selinger' and Initial = 'z'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50007965
PNG
(CHEMBL312194 | Tyr(psi)CH2O-Gly-Gly-Phe-Leu-NH2 | ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)12-23(27(30)37)33-28(38)24(14-19-6-4-3-5-7-19)32-25(35)15-31-26(36)17-39-16-21(29)13-20-8-10-22(34)11-9-20/h3-11,18,21,23-24,34H,12-17,29H2,1-2H3,(H2,30,37)(H,31,36)(H,32,35)(H,33,38)/t21-,23-,24-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50007965
PNG
(CHEMBL312194 | Tyr(psi)CH2O-Gly-Gly-Phe-Leu-NH2 | ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)12-23(27(30)37)33-28(38)24(14-19-6-4-3-5-7-19)32-25(35)15-31-26(36)17-39-16-21(29)13-20-8-10-22(34)11-9-20/h3-11,18,21,23-24,34H,12-17,29H2,1-2H3,(H2,30,37)(H,31,36)(H,32,35)(H,33,38)/t21-,23-,24-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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629n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50007966
PNG
(CHEMBL420022 | Tyr-Gly(psi)CH2O-Gly-PheLeu-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)14-23(26(30)36)33-28(38)24(16-19-6-4-3-5-7-19)32-25(35)17-39-13-12-31-27(37)22(29)15-20-8-10-21(34)11-9-20/h3-11,18,22-24,34H,12-17,29H2,1-2H3,(H2,30,36)(H,31,37)(H,32,35)(H,33,38)/t22-,23-,24-/m0/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50007966
PNG
(CHEMBL420022 | Tyr-Gly(psi)CH2O-Gly-PheLeu-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)14-23(26(30)36)33-28(38)24(16-19-6-4-3-5-7-19)32-25(35)17-39-13-12-31-27(37)22(29)15-20-8-10-21(34)11-9-20/h3-11,18,22-24,34H,12-17,29H2,1-2H3,(H2,30,36)(H,31,37)(H,32,35)(H,33,38)/t22-,23-,24-/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004434
PNG
(3-Acetylamino-N-[1-(1-{2-[1-{1-[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72N10O17S/c1-4-6-17-39(50(73)64-45(30-48(70)71)54(77)62-41(49(57)72)26-33-14-9-8-10-15-33)60-52(75)43(28-35-31-58-38-19-12-11-16-37(35)38)65-55(78)46-20-13-25-66(46)56(79)40(18-7-5-2)61-51(74)42(63-53(76)44(29-47(68)69)59-32(3)67)27-34-21-23-36(24-22-34)83-84(80,81)82/h8-12,14-16,19,21-24,31,39-46,58H,4-7,13,17-18,20,25-30H2,1-3H3,(H2,57,72)(H,59,67)(H,60,75)(H,61,74)(H,62,77)(H,63,76)(H,64,73)(H,65,78)(H,68,69)(H,70,71)(H,80,81,82)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004434
PNG
(3-Acetylamino-N-[1-(1-{2-[1-{1-[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H72N10O17S/c1-4-6-17-39(50(73)64-45(30-48(70)71)54(77)62-41(49(57)72)26-33-14-9-8-10-15-33)60-52(75)43(28-35-31-58-38-19-12-11-16-37(35)38)65-55(78)46-20-13-25-66(46)56(79)40(18-7-5-2)61-51(74)42(63-53(76)44(29-47(68)69)59-32(3)67)27-34-21-23-36(24-22-34)83-84(80,81)82/h8-12,14-16,19,21-24,31,39-46,58H,4-7,13,17-18,20,25-30H2,1-3H3,(H2,57,72)(H,59,67)(H,60,75)(H,61,74)(H,62,77)(H,63,76)(H,64,73)(H,65,78)(H,68,69)(H,70,71)(H,80,81,82)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/an/an/a 54n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004436
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(49(72)63-44(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32)59-51(74)42(26-34-29-56-37-19-13-12-16-36(34)37)58-45(66)30-64(4)54(77)39(18-8-6-2)60-50(73)41(62-52(75)43(27-46(67)68)57-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,65)(H,58,66)(H,59,74)(H,60,73)(H,61,76)(H,62,75)(H,63,72)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004436
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(49(72)63-44(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32)59-51(74)42(26-34-29-56-37-19-13-12-16-36(34)37)58-45(66)30-64(4)54(77)39(18-8-6-2)60-50(73)41(62-52(75)43(27-46(67)68)57-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,65)(H,58,66)(H,59,74)(H,60,73)(H,61,76)(H,62,75)(H,63,72)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004437
PNG
(3-Acetylamino-N-[1-[1-({[1-(1-{[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)41(63-52(75)43(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-42(26-34-29-56-37-19-13-12-16-36(34)37)51(74)61-39(18-8-6-2)54(77)64(4)44(28-47(69)70)53(76)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,74)(H,62,76)(H,63,75)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004433
PNG
(3-Acetylamino-N-[1-[1-({[1-({1-[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)40(62-51(74)41(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-43(26-34-29-56-37-18-13-12-16-36(34)37)54(77)64(4)44(19-8-6-2)53(76)63-42(28-47(69)70)52(75)61-39(48(55)71)24-32-14-10-9-11-15-32/h9-16,18,20-23,29,38-44,56H,5-8,17,19,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,75)(H,62,74)(H,63,76)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004435
PNG
(3-Acetylamino-N-[1-{1-[({[1-{1-[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(59-51(74)41(62-52(75)42(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)64(4)44(26-34-29-56-37-19-13-12-16-36(34)37)54(77)60-39(18-8-6-2)50(73)63-43(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,74)(H,60,77)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 265n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004439
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)N(C)C(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(61-53(76)44(25-33-20-22-35(23-21-33)81-82(78,79)80)64(4)54(77)43(28-47(69)70)58-31(3)65)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)51(74)60-39(18-8-6-2)50(73)63-42(27-46(67)68)52(75)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004438
PNG
(3-Acetylamino-N-[1-[1-({[1-(1-{1-[(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-51(74)40(62-53(76)42(27-46(67)68)58-31(3)65)24-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)52(75)61-39(18-8-6-2)50(73)63-43(28-47(69)70)54(77)64(4)44(48(55)71)25-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,75)(H,62,76)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004440
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H68N10O17S/c1-4-6-16-37(59-50(73)40(62-52(75)42(26-45(66)67)57-30(3)64)24-32-19-21-34(22-20-32)80-81(77,78)79)48(71)56-29-44(65)58-41(25-33-28-55-36-18-12-11-15-35(33)36)51(74)60-38(17-7-5-2)49(72)63-43(27-46(68)69)53(76)61-39(47(54)70)23-31-13-9-8-10-14-31/h8-15,18-22,28,37-43,55H,4-7,16-17,23-27,29H2,1-3H3,(H2,54,70)(H,56,71)(H,57,64)(H,58,65)(H,59,73)(H,60,74)(H,61,76)(H,62,75)(H,63,72)(H,66,67)(H,68,69)(H,77,78,79)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004433
PNG
(3-Acetylamino-N-[1-[1-({[1-({1-[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)40(62-51(74)41(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-43(26-34-29-56-37-18-13-12-16-36(34)37)54(77)64(4)44(19-8-6-2)53(76)63-42(28-47(69)70)52(75)61-39(48(55)71)24-32-14-10-9-11-15-32/h9-16,18,20-23,29,38-44,56H,5-8,17,19,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,75)(H,62,74)(H,63,76)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004437
PNG
(3-Acetylamino-N-[1-[1-({[1-(1-{[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-50(73)41(63-52(75)43(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-42(26-34-29-56-37-19-13-12-16-36(34)37)51(74)61-39(18-8-6-2)54(77)64(4)44(28-47(69)70)53(76)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,73)(H,61,74)(H,62,76)(H,63,75)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004438
PNG
(3-Acetylamino-N-[1-[1-({[1-(1-{1-[(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(60-51(74)40(62-53(76)42(27-46(67)68)58-31(3)65)24-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)52(75)61-39(18-8-6-2)50(73)63-43(28-47(69)70)54(77)64(4)44(48(55)71)25-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,75)(H,62,76)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004440
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H68N10O17S/c1-4-6-16-37(59-50(73)40(62-52(75)42(26-45(66)67)57-30(3)64)24-32-19-21-34(22-20-32)80-81(77,78)79)48(71)56-29-44(65)58-41(25-33-28-55-36-18-12-11-15-35(33)36)51(74)60-38(17-7-5-2)49(72)63-43(27-46(68)69)53(76)61-39(47(54)70)23-31-13-9-8-10-14-31/h8-15,18-22,28,37-43,55H,4-7,16-17,23-27,29H2,1-3H3,(H2,54,70)(H,56,71)(H,57,64)(H,58,65)(H,59,73)(H,60,74)(H,61,76)(H,62,75)(H,63,72)(H,66,67)(H,68,69)(H,77,78,79)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004435
PNG
(3-Acetylamino-N-[1-{1-[({[1-{1-[1-(1-carbamoyl-2-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(59-51(74)41(62-52(75)42(27-46(67)68)58-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80)49(72)57-30-45(66)64(4)44(26-34-29-56-37-19-13-12-16-36(34)37)54(77)60-39(18-8-6-2)50(73)63-43(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,74)(H,60,77)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50004439
PNG
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)N(C)C(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(61-53(76)44(25-33-20-22-35(23-21-33)81-82(78,79)80)64(4)54(77)43(28-47(69)70)58-31(3)65)49(72)57-30-45(66)59-41(26-34-29-56-37-19-13-12-16-36(34)37)51(74)60-39(18-8-6-2)50(73)63-42(27-46(67)68)52(75)62-40(48(55)71)24-32-14-10-9-11-15-32/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,72)(H,58,65)(H,59,66)(H,60,74)(H,61,76)(H,62,75)(H,63,73)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Hadassah-University Hospital

Curated by ChEMBL


Assay Description
In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype


J Med Chem 35: 2806-11 (1992)


Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50007962
PNG
(CHEMBL81919 | pGlu6-Phe-NMePhe-Gly-Leu-Met-NH2)
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]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50007972
PNG
(CHEMBL311917 | pGlu6-Phe-Phe8(psi)CH2O-Gly-Leu-Met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50007963
PNG
(CHEMBL441061 | pGlu6-Phe-Phe-Gly-Leu-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H49N7O7S/c1-22(2)18-27(35(49)41-25(32(37)46)16-17-51-3)40-31(45)21-38-33(47)28(19-23-10-6-4-7-11-23)42-36(50)29(20-24-12-8-5-9-13-24)43-34(48)26-14-15-30(44)39-26/h4-13,22,25-29H,14-21H2,1-3H3,(H2,37,46)(H,38,47)(H,39,44)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t25-,26-,27-,28-,29-/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 dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007962
PNG
(CHEMBL81919 | pGlu6-Phe-NMePhe-Gly-Leu-Met-NH2)
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]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50452295
PNG
(CHEMBL2371799)
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](N)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C39H55N7O8S/c1-24(2)21-29(36(51)42-28(34(41)49)18-20-55-3)44-38(53)32-15-10-19-46(32)39(54)31(23-26-13-8-5-9-14-26)45-37(52)30(22-25-11-6-4-7-12-25)43-35(50)27(40)16-17-33(47)48/h4-9,11-14,24,27-32H,10,15-23,40H2,1-3H3,(H2,41,49)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H,47,48)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for effective dose against muscular receptor in guinea pig ileum


J Med Chem 29: 1284-8 (1987)


Article DOI: 10.1021/jm00157a029
BindingDB Entry DOI: 10.7270/Q2930S56
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50016358
PNG
(4-Amino-4-{1-[1-({[1-(1-carbamoyl-3-methylsulfanyl...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(N)=O
Show InChI InChI=1S/C36H51N7O8S/c1-22(2)18-27(35(50)41-26(32(38)47)16-17-52-3)40-30(44)21-39-34(49)28(19-23-10-6-4-7-11-23)43-36(51)29(20-24-12-8-5-9-13-24)42-33(48)25(37)14-15-31(45)46/h4-13,22,25-29H,14-21,37H2,1-3H3,(H2,38,47)(H,39,49)(H,40,44)(H,41,50)(H,42,48)(H,43,51)(H,45,46)/t25-,26-,27-,28-,29-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for effective dose against Neuronal receptor in guinea pig ileum


J Med Chem 29: 1284-8 (1987)


Article DOI: 10.1021/jm00157a029
BindingDB Entry DOI: 10.7270/Q2930S56
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007972
PNG
(CHEMBL311917 | pGlu6-Phe-Phe8(psi)CH2O-Gly-Leu-Met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007963
PNG
(CHEMBL441061 | pGlu6-Phe-Phe-Gly-Leu-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H49N7O7S/c1-22(2)18-27(35(49)41-25(32(37)46)16-17-51-3)40-31(45)21-38-33(47)28(19-23-10-6-4-7-11-23)42-36(50)29(20-24-12-8-5-9-13-24)43-34(48)26-14-15-30(44)39-26/h4-13,22,25-29H,14-21H2,1-3H3,(H2,37,46)(H,38,47)(H,39,44)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t25-,26-,27-,28-,29-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Neurokinin 1 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
Neurokinin 1 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
Neurokinin 1 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
Neurokinin 3 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
TACR2


(mouse)
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
Neurokinin 3 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
Neurokinin 1 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
Neurokinin 3 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
Neurokinin 3 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
TACR2


(mouse)
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
Neurokinin 1 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
Neurokinin 3 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
TACR2


(mouse)
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
Neurokinin 3 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
Neurokinin 1 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
TACR2


(mouse)
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
TACR2


(mouse)
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
TACR2


(mouse)
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
Neurokinin 3 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
Neurokinin 1 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
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