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Compile Data Set for Download or QSAR

Found 203 hits from Burroughs Wellcome Company   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
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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1.90n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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4n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21025
PNG
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50209301
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H37N5O5/c1-17(2)24(25(30)35)32-26(36)22(16-18-7-4-3-5-8-18)31-27(37)23-9-6-14-33(23)28(38)21(29)15-19-10-12-20(34)13-11-19/h3-5,7-8,10-13,17,21-24,34H,6,9,14-16,29H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)/t21-,22-,23-,24-/m0/s1
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16.1n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50044896
PNG
(CHEMBL162564 | Morphiceptin | Tyr-Pro-D-Phe-Pro-NH...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21?,22-,23?,24?/m1/s1
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34.9n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50209301
PNG
((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H37N5O5/c1-17(2)24(25(30)35)32-26(36)22(16-18-7-4-3-5-8-18)31-27(37)23-9-6-14-33(23)28(38)21(29)15-19-10-12-20(34)13-11-19/h3-5,7-8,10-13,17,21-24,34H,6,9,14-16,29H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)/t21-,22-,23-,24-/m0/s1
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37n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50044896
PNG
(CHEMBL162564 | Morphiceptin | Tyr-Pro-D-Phe-Pro-NH...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21?,22-,23?,24?/m1/s1
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63n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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490n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM82064
PNG
(CAS_79805-24-6 | NSC_16219643 | beta-Casomorphin)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)
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1.16E+3n/an/an/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by PDSP Ki Database




Mol Pharmacol 31: 326-33 (1987)


BindingDB Entry DOI: 10.7270/Q279435W
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040307
PNG
(1-naphthyl(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Ph...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C59H70N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-41-30-62-33-66-41)59(81)73-23-13-18-42(73)31-64-47(52(60)74)24-37-14-6-5-7-15-37)72-54(76)36(4)67-56(78)48(25-39-28-63-46-22-11-10-20-44(39)46)70-57(79)49(26-40-29-61-32-65-40)69-55(77)45-21-12-17-38-16-8-9-19-43(38)45/h5-12,14-17,19-22,28-30,32-36,42,47-51,63-64H,13,18,23-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,42-,47+,48+,49+,50+,51+/m1/s1
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n/an/a 0.00100n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040317
PNG
(CHEMBL262756 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t35-,36-,42-,45-,46-,47-,48-,50-/m0/s1
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n/an/a 0.00100n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036920
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1C2CCCCC2C=NN1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C23H31N5OS/c29-23-19-8-2-1-7-18(19)17-24-28(23)12-6-5-11-26-13-15-27(16-14-26)22-20-9-3-4-10-21(20)30-25-22/h3-4,9-10,17-19H,1-2,5-8,11-16H2
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n/an/a 0.0210n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040299
PNG
(CHEMBL410783 | cyclopropylbenzene(CO)His-Trp-Ala-V...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1C[C@@H]1c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H72N14O8/c1-33(2)50(57(79)67-34(3)52(74)70-49(25-40-29-61-32-65-40)58(80)72-21-13-18-41(72)30-63-46(51(59)73)22-36-14-7-5-8-15-36)71-53(75)35(4)66-55(77)47(23-38-27-62-45-20-12-11-19-42(38)45)69-56(78)48(24-39-28-60-31-64-39)68-54(76)44-26-43(44)37-16-9-6-10-17-37/h5-12,14-17,19-20,27-29,31-35,41,43-44,46-50,62-63H,13,18,21-26,30H2,1-4H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,76)(H,69,78)(H,70,74)(H,71,75)/t34-,35+,41-,43-,44?,46+,47+,48+,49+,50+/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040325
PNG
(CHEMBL268386 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t35-,36+,42-,45+,46+,47+,48+,50+/m1/s1
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n/an/a 0.0380n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040299
PNG
(CHEMBL410783 | cyclopropylbenzene(CO)His-Trp-Ala-V...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1C[C@@H]1c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H72N14O8/c1-33(2)50(57(79)67-34(3)52(74)70-49(25-40-29-61-32-65-40)58(80)72-21-13-18-41(72)30-63-46(51(59)73)22-36-14-7-5-8-15-36)71-53(75)35(4)66-55(77)47(23-38-27-62-45-20-12-11-19-42(38)45)69-56(78)48(24-39-28-60-31-64-39)68-54(76)44-26-43(44)37-16-9-6-10-17-37/h5-12,14-17,19-20,27-29,31-35,41,43-44,46-50,62-63H,13,18,21-26,30H2,1-4H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,76)(H,69,78)(H,70,74)(H,71,75)/t34-,35+,41-,43-,44?,46+,47+,48+,49+,50+/m1/s1
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n/an/a 0.0490n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040301
PNG
(4-OHPhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H72N14O9/c1-33(2)50(56(79)66-34(3)52(75)69-48(26-40-29-60-32-64-40)57(80)71-22-10-13-41(71)30-62-45(51(58)74)23-37-11-6-5-7-12-37)70-53(76)35(4)65-54(77)46(24-38-27-61-44-15-9-8-14-43(38)44)68-55(78)47(25-39-28-59-31-63-39)67-49(73)21-18-36-16-19-42(72)20-17-36/h5-9,11-12,14-17,19-20,27-29,31-35,41,45-48,50,61-62,72H,10,13,18,21-26,30H2,1-4H3,(H2,58,74)(H,59,63)(H,60,64)(H,65,77)(H,66,79)(H,67,73)(H,68,78)(H,69,75)(H,70,76)/t34-,35+,41-,45+,46+,47+,48+,50+/m1/s1
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Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040307
PNG
(1-naphthyl(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Ph...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C59H70N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-41-30-62-33-66-41)59(81)73-23-13-18-42(73)31-64-47(52(60)74)24-37-14-6-5-7-15-37)72-54(76)36(4)67-56(78)48(25-39-28-63-46-22-11-10-20-44(39)46)70-57(79)49(26-40-29-61-32-65-40)69-55(77)45-21-12-17-38-16-8-9-19-43(38)45/h5-12,14-17,19-22,28-30,32-36,42,47-51,63-64H,13,18,23-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,42-,47+,48+,49+,50+,51+/m1/s1
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Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040312
PNG
(2-tetrahydronaphthyl(CO)His-Trp-Ala-Val-DAla-His-D...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C59H74N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-43-30-62-33-66-43)59(81)73-22-12-17-44(73)31-64-47(52(60)74)23-37-13-6-5-7-14-37)72-54(76)36(4)67-56(78)48(25-41-28-63-46-19-11-10-18-45(41)46)70-57(79)49(26-42-29-61-32-65-42)69-55(77)40-21-20-38-15-8-9-16-39(38)24-40/h5-11,13-16,18-19,28-30,32-36,40,44,47-51,63-64H,12,17,20-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,40?,44-,47+,48+,49+,50+,51+/m1/s1
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n/an/a 0.0790n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040308
PNG
(2-aminoPhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H71N15O8/c1-32(2)49(55(78)66-33(3)51(74)69-47(25-39-28-60-31-64-39)56(79)71-20-12-16-40(71)29-62-44(50(58)73)21-35-13-6-5-7-14-35)70-52(75)34(4)65-53(76)45(22-37-26-61-43-19-11-9-17-41(37)43)68-54(77)46(24-38-27-59-30-63-38)67-48(72)23-36-15-8-10-18-42(36)57/h5-11,13-15,17-19,26-28,30-34,40,44-47,49,61-62H,12,16,20-25,29,57H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t33-,34+,40-,44+,45+,46+,47+,49+/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040310
PNG
(3-CF3PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(c1)C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H71F3N14O8/c1-33(2)50(56(82)70-34(3)52(78)73-48(26-41-29-64-32-68-41)57(83)75-21-11-16-42(75)30-66-45(51(62)77)23-36-12-6-5-7-13-36)74-53(79)35(4)69-54(80)46(24-38-27-65-44-18-9-8-17-43(38)44)72-55(81)47(25-40-28-63-31-67-40)71-49(76)20-19-37-14-10-15-39(22-37)58(59,60)61/h5-10,12-15,17-18,22,27-29,31-35,42,45-48,50,65-66H,11,16,19-21,23-26,30H2,1-4H3,(H2,62,77)(H,63,67)(H,64,68)(H,69,80)(H,70,82)(H,71,76)(H,72,81)(H,73,78)(H,74,79)/t34-,35+,42-,45+,46+,47+,48+,50+/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040315
PNG
((CH3)2PhC(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H74N14O8/c1-34(2)49(55(78)67-35(3)51(74)69-48(27-41-30-61-33-65-41)56(79)72-23-15-20-42(72)31-63-45(50(59)73)24-37-16-9-7-10-17-37)71-52(75)36(4)66-53(76)46(25-38-28-62-44-22-14-13-21-43(38)44)68-54(77)47(26-40-29-60-32-64-40)70-57(80)58(5,6)39-18-11-8-12-19-39/h7-14,16-19,21-22,28-30,32-36,42,45-49,62-63H,15,20,23-27,31H2,1-6H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,76)(H,67,78)(H,68,77)(H,69,74)(H,70,80)(H,71,75)/t35-,36+,42-,45+,46+,47+,48+,49+/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040315
PNG
((CH3)2PhC(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H74N14O8/c1-34(2)49(55(78)67-35(3)51(74)69-48(27-41-30-61-33-65-41)56(79)72-23-15-20-42(72)31-63-45(50(59)73)24-37-16-9-7-10-17-37)71-52(75)36(4)66-53(76)46(25-38-28-62-44-22-14-13-21-43(38)44)68-54(77)47(26-40-29-60-32-64-40)70-57(80)58(5,6)39-18-11-8-12-19-39/h7-14,16-19,21-22,28-30,32-36,42,45-49,62-63H,15,20,23-27,31H2,1-6H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,76)(H,67,78)(H,68,77)(H,69,74)(H,70,80)(H,71,75)/t35-,36+,42-,45+,46+,47+,48+,49+/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036918
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h1-4,7-10H,5-6,11-16H2
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n/an/a 0.190n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040317
PNG
(CHEMBL262756 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t35-,36-,42-,45-,46-,47-,48-,50-/m0/s1
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Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040301
PNG
(4-OHPhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H72N14O9/c1-33(2)50(56(79)66-34(3)52(75)69-48(26-40-29-60-32-64-40)57(80)71-22-10-13-41(71)30-62-45(51(58)74)23-37-11-6-5-7-12-37)70-53(76)35(4)65-54(77)46(24-38-27-61-44-15-9-8-14-43(38)44)68-55(78)47(25-39-28-59-31-63-39)67-49(73)21-18-36-16-19-42(72)20-17-36/h5-9,11-12,14-17,19-20,27-29,31-35,41,45-48,50,61-62,72H,10,13,18,21-26,30H2,1-4H3,(H2,58,74)(H,59,63)(H,60,64)(H,65,77)(H,66,79)(H,67,73)(H,68,78)(H,69,75)(H,70,76)/t34-,35+,41-,45+,46+,47+,48+,50+/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040312
PNG
(2-tetrahydronaphthyl(CO)His-Trp-Ala-Val-DAla-His-D...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C59H74N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-43-30-62-33-66-43)59(81)73-22-12-17-44(73)31-64-47(52(60)74)23-37-13-6-5-7-14-37)72-54(76)36(4)67-56(78)48(25-41-28-63-46-19-11-10-18-45(41)46)70-57(79)49(26-42-29-61-32-65-42)69-55(77)40-21-20-38-15-8-9-16-39(38)24-40/h5-11,13-16,18-19,28-30,32-36,40,44,47-51,63-64H,12,17,20-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,40?,44-,47+,48+,49+,50+,51+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040320
PNG
(CHEMBL264122 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H72N14O9/c1-33(2)50(56(79)66-34(3)52(75)69-48(26-40-29-60-32-64-40)57(80)71-22-10-13-41(71)30-62-45(51(58)74)23-37-16-19-42(72)20-17-37)70-53(76)35(4)65-54(77)46(24-38-27-61-44-15-9-8-14-43(38)44)68-55(78)47(25-39-28-59-31-63-39)67-49(73)21-18-36-11-6-5-7-12-36/h5-9,11-12,14-17,19-20,27-29,31-35,41,45-48,50,61-62,72H,10,13,18,21-26,30H2,1-4H3,(H2,58,74)(H,59,63)(H,60,64)(H,65,77)(H,66,79)(H,67,73)(H,68,78)(H,69,75)(H,70,76)/t34-,35+,41-,45+,46+,47+,48+,50+/m1/s1
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n/an/a 0.330n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036928
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-8-2-4-10-20(18)31(28,29)26(22)12-6-5-11-24-13-15-25(16-14-24)21-17-7-1-3-9-19(17)30-23-21/h1-4,7-10H,5-6,11-16H2
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Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
NPY2R


(RAT)
BDBM50034128
PNG
(CHEMBL441396 | Neuropeptide Y(NPY) | Tyr-Pro-Ser-L...)
Show InChI InChI=1S/C190H286N54O58/c1-16-94(9)149(179(294)233-128(81-141(194)254)168(283)225-123(74-93(7)8)171(286)239-150(95(10)17-2)180(295)240-151(100(15)247)181(296)221-116(32-23-67-208-190(202)203)155(270)220-118(57-60-140(193)253)160(275)218-115(31-22-66-207-189(200)201)158(273)235-133(186(301)302)79-105-45-55-111(252)56-46-105)238-172(287)126(78-104-43-53-110(251)54-44-104)228-167(282)127(80-106-86-204-90-210-106)229-157(272)114(30-21-65-206-188(198)199)219-164(279)122(73-92(5)6)223-154(269)97(12)212-173(288)134(88-245)236-166(281)125(77-103-41-51-109(250)52-42-103)227-165(280)124(76-102-39-49-108(249)50-40-102)226-156(271)113(29-20-64-205-187(196)197)216-152(267)96(11)211-162(277)121(72-91(3)4)224-169(284)130(84-147(263)264)231-161(276)119(59-62-145(259)260)217-153(268)98(13)213-176(291)137-34-25-68-241(137)182(297)99(14)214-163(278)129(83-146(261)262)230-159(274)117(58-61-144(257)258)215-143(256)87-209-175(290)136-33-24-70-243(136)185(300)132(82-142(195)255)234-170(285)131(85-148(265)266)232-177(292)139-36-27-71-244(139)184(299)120(28-18-19-63-191)222-174(289)135(89-246)237-178(293)138-35-26-69-242(138)183(298)112(192)75-101-37-47-107(248)48-38-101/h37-56,86,90-100,112-139,149-151,245-252H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H2,195,255)(H,204,210)(H,209,290)(H,211,277)(H,212,288)(H,213,291)(H,214,278)(H,215,256)(H,216,267)(H,217,268)(H,218,275)(H,219,279)(H,220,270)(H,221,296)(H,222,289)(H,223,269)(H,224,284)(H,225,283)(H,226,271)(H,227,280)(H,228,282)(H,229,272)(H,230,274)(H,231,276)(H,232,292)(H,233,294)(H,234,285)(H,235,273)(H,236,281)(H,237,293)(H,238,287)(H,239,286)(H,240,295)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,301,302)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
50% displacement of specifically bound [3H]-NPY2 from rat brain membranes.


J Med Chem 38: 1150-7 (1995)


Article DOI: 10.1021/jm00007a012
BindingDB Entry DOI: 10.7270/Q2513X8D
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50407275
PNG
(CHEMBL2112786)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H74N14O8/c1-34(2)51(57(79)67-36(4)53(75)70-49(27-42-30-61-33-65-42)58(80)72-22-14-19-43(72)31-63-46(52(59)74)24-38-15-8-6-9-16-38)71-54(76)37(5)66-55(77)47(25-40-28-62-45-21-13-12-20-44(40)45)69-56(78)48(26-41-29-60-32-64-41)68-50(73)23-35(3)39-17-10-7-11-18-39/h6-13,15-18,20-21,28-30,32-37,43,46-49,51,62-63H,14,19,22-27,31H2,1-5H3,(H2,59,74)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,73)(H,69,78)(H,70,75)(H,71,76)/t35-,36-,37+,43-,46+,47+,48+,49+,51+/m1/s1
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n/an/a 0.490n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040316
PNG
(3-isoquinolyl(CO)His-Trp-Ala-Val-DAla-His-DPro(psi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2cn1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H69N15O8/c1-33(2)50(57(80)68-34(3)52(75)71-49(25-41-29-61-32-66-41)58(81)73-20-12-17-42(73)30-64-45(51(59)74)21-36-13-6-5-7-14-36)72-53(76)35(4)67-55(78)47(23-39-27-62-44-19-11-10-18-43(39)44)69-56(79)48(24-40-28-60-31-65-40)70-54(77)46-22-37-15-8-9-16-38(37)26-63-46/h5-11,13-16,18-19,22,26-29,31-35,42,45,47-50,62,64H,12,17,20-21,23-25,30H2,1-4H3,(H2,59,74)(H,60,65)(H,61,66)(H,67,78)(H,68,80)(H,69,79)(H,70,77)(H,71,75)(H,72,76)/t34-,35+,42-,45+,47+,48+,49+,50+/m1/s1
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n/an/a 0.570n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036925
PNG
(3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=c1n(CCCCN2CCN(CC2)c2nsc3ccccc23)cnc2ccccc12
Show InChI InChI=1S/C23H25N5OS/c29-23-18-7-1-3-9-20(18)24-17-28(23)12-6-5-11-26-13-15-27(16-14-26)22-19-8-2-4-10-21(19)30-25-22/h1-4,7-10,17H,5-6,11-16H2
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n/an/a 0.590n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036919
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CCc2ccccc12
Show InChI InChI=1S/C24H28N4OS/c29-24-20-8-2-1-7-19(20)11-14-28(24)13-6-5-12-26-15-17-27(18-16-26)23-21-9-3-4-10-22(21)30-25-23/h1-4,7-10H,5-6,11-18H2
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n/an/a 0.640n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040324
PNG
(CHEMBL266516 | PhCH2CH2(CO)His-(BzthAla)-Ala-Val-D...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H71N13O8S/c1-34(2)50(56(77)65-35(3)52(73)68-47(27-41-29-60-33-63-41)57(78)70-23-13-18-42(70)30-61-44(51(58)72)24-38-16-9-6-10-17-38)69-53(74)36(4)64-54(75)45(25-39-31-79-48-20-12-11-19-43(39)48)67-55(76)46(26-40-28-59-32-62-40)66-49(71)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-29,31-36,42,44-47,50,61H,13,18,21-27,30H2,1-4H3,(H2,58,72)(H,59,62)(H,60,63)(H,64,75)(H,65,77)(H,66,71)(H,67,76)(H,68,73)(H,69,74)/t35-,36-,42+,44-,45-,46-,47-,50-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036920
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1C2CCCCC2C=NN1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C23H31N5OS/c29-23-19-8-2-1-7-18(19)17-24-28(23)12-6-5-11-26-13-15-27(16-14-26)22-20-9-3-4-10-21(20)30-25-22/h3-4,9-10,17-19H,1-2,5-8,11-16H2
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Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50407276
PNG
(CHEMBL2111952)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H74N14O8/c1-34(2)51(57(79)67-36(4)53(75)70-49(27-42-30-61-33-65-42)58(80)72-22-14-19-43(72)31-63-46(52(59)74)24-38-15-8-6-9-16-38)71-54(76)37(5)66-55(77)47(25-40-28-62-45-21-13-12-20-44(40)45)69-56(78)48(26-41-29-60-32-64-41)68-50(73)23-35(3)39-17-10-7-11-18-39/h6-13,15-18,20-21,28-30,32-37,43,46-49,51,62-63H,14,19,22-27,31H2,1-5H3,(H2,59,74)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,73)(H,69,78)(H,70,75)(H,71,76)/t35-,36+,37-,43+,46-,47-,48-,49-,51-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50407276
PNG
(CHEMBL2111952)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H74N14O8/c1-34(2)51(57(79)67-36(4)53(75)70-49(27-42-30-61-33-65-42)58(80)72-22-14-19-43(72)31-63-46(52(59)74)24-38-15-8-6-9-16-38)71-54(76)37(5)66-55(77)47(25-40-28-62-45-21-13-12-20-44(40)45)69-56(78)48(26-41-29-60-32-64-41)68-50(73)23-35(3)39-17-10-7-11-18-39/h6-13,15-18,20-21,28-30,32-37,43,46-49,51,62-63H,14,19,22-27,31H2,1-5H3,(H2,59,74)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,73)(H,69,78)(H,70,75)(H,71,76)/t35-,36+,37-,43+,46-,47-,48-,49-,51-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040310
PNG
(3-CF3PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(c1)C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H71F3N14O8/c1-33(2)50(56(82)70-34(3)52(78)73-48(26-41-29-64-32-68-41)57(83)75-21-11-16-42(75)30-66-45(51(62)77)23-36-12-6-5-7-13-36)74-53(79)35(4)69-54(80)46(24-38-27-65-44-18-9-8-17-43(38)44)72-55(81)47(25-40-28-63-31-67-40)71-49(76)20-19-37-14-10-15-39(22-37)58(59,60)61/h5-10,12-15,17-18,22,27-29,31-35,42,45-48,50,65-66H,11,16,19-21,23-26,30H2,1-4H3,(H2,62,77)(H,63,67)(H,64,68)(H,69,80)(H,70,82)(H,71,76)(H,72,81)(H,73,78)(H,74,79)/t34-,35+,42-,45+,46+,47+,48+,50+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50407273
PNG
(CHEMBL2111953)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H72N14O8/c1-33(2)49(56(78)66-35(4)52(74)69-48(26-41-29-60-32-64-41)57(79)71-22-14-19-42(71)30-62-45(50(58)72)23-37-15-8-6-9-16-37)70-53(75)36(5)65-54(76)46(24-39-27-61-44-21-13-12-20-43(39)44)68-55(77)47(25-40-28-59-31-63-40)67-51(73)34(3)38-17-10-7-11-18-38/h6-13,15-18,20-21,27-29,31-36,42,45-49,61-62H,14,19,22-26,30H2,1-5H3,(H2,58,72)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,73)(H,68,77)(H,69,74)(H,70,75)/t34-,35+,36-,42+,45-,46-,47-,48-,49-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040314
PNG
((CH3)2PhCCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C59H76N14O8/c1-35(2)51(57(80)68-36(3)53(76)71-49(27-42-31-62-34-66-42)58(81)73-23-15-20-43(73)32-64-46(52(60)75)24-38-16-9-7-10-17-38)72-54(77)37(4)67-55(78)47(25-39-29-63-45-22-14-13-21-44(39)45)70-56(79)48(26-41-30-61-33-65-41)69-50(74)28-59(5,6)40-18-11-8-12-19-40/h7-14,16-19,21-22,29-31,33-37,43,46-49,51,63-64H,15,20,23-28,32H2,1-6H3,(H2,60,75)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,74)(H,70,79)(H,71,76)(H,72,77)/t36-,37+,43-,46+,47+,48+,49+,51+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50407273
PNG
(CHEMBL2111953)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H72N14O8/c1-33(2)49(56(78)66-35(4)52(74)69-48(26-41-29-60-32-64-41)57(79)71-22-14-19-42(71)30-62-45(50(58)72)23-37-15-8-6-9-16-37)70-53(75)36(5)65-54(76)46(24-39-27-61-44-21-13-12-20-43(39)44)68-55(77)47(25-40-28-59-31-63-40)67-51(73)34(3)38-17-10-7-11-18-38/h6-13,15-18,20-21,27-29,31-36,42,45-49,61-62H,14,19,22-26,30H2,1-5H3,(H2,58,72)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,73)(H,68,77)(H,69,74)(H,70,75)/t34-,35+,36-,42+,45-,46-,47-,48-,49-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036917
PNG
(3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=c1n(CCCCN2CCN(CC2)c2nsc3ccccc23)nnc2ccccc12
Show InChI InChI=1S/C22H24N6OS/c29-22-17-7-1-3-9-19(17)23-25-28(22)12-6-5-11-26-13-15-27(16-14-26)21-18-8-2-4-10-20(18)30-24-21/h1-4,7-10H,5-6,11-16H2
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n/an/a 1.70n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036926
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1Cc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H26N4O2S/c29-22-17-18-7-1-2-8-19(18)24(30)28(22)12-6-5-11-26-13-15-27(16-14-26)23-20-9-3-4-10-21(20)31-25-23/h1-4,7-10H,5-6,11-17H2
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n/an/a 1.80n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040323
PNG
(CHEMBL265736 | phenothiazoneCH2CH2(CO)His-Trp-Ala-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCN1c2ccccc2Sc2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C63H75N15O8S/c1-37(2)56(62(85)72-38(3)58(81)75-50(30-43-33-66-36-70-43)63(86)77-25-14-17-44(77)34-68-47(57(64)80)27-40-15-6-5-7-16-40)76-59(82)39(4)71-60(83)48(28-41-31-67-46-19-9-8-18-45(41)46)74-61(84)49(29-42-32-65-35-69-42)73-55(79)24-26-78-51-20-10-12-22-53(51)87-54-23-13-11-21-52(54)78/h5-13,15-16,18-23,31-33,35-39,44,47-50,56,67-68H,14,17,24-30,34H2,1-4H3,(H2,64,80)(H,65,69)(H,66,70)(H,71,83)(H,72,85)(H,73,79)(H,74,84)(H,75,81)(H,76,82)/t38-,39+,44-,47+,48+,49+,50+,56+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 2n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human dihydrofolate reductase


J Med Chem 38: 3608-16 (1995)


Article DOI: 10.1021/jm00018a021
BindingDB Entry DOI: 10.7270/Q2V69KS6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040308
PNG
(2-aminoPhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H71N15O8/c1-32(2)49(55(78)66-33(3)51(74)69-47(25-39-28-60-31-64-39)56(79)71-20-12-16-40(71)29-62-44(50(58)73)21-35-13-6-5-7-14-35)70-52(75)34(4)65-53(76)45(22-37-26-61-43-19-11-9-17-41(37)43)68-54(77)46(24-38-27-59-30-63-38)67-48(72)23-36-15-8-10-18-42(36)57/h5-11,13-15,17-19,26-28,30-34,40,44-47,49,61-62H,12,16,20-25,29,57H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t33-,34+,40-,44+,45+,46+,47+,49+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Gastrin releasing peptide receptor


(MOUSE)
BDBM50040298
PNG
(CHEMBL386478 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C61H74N14O8/c1-36(2)54(60(82)70-37(3)56(78)73-52(29-45-32-64-35-68-45)61(83)75-24-12-17-46(75)33-66-49(55(62)77)26-40-20-22-41-15-8-9-16-42(41)25-40)74-57(79)38(4)69-58(80)50(27-43-30-65-48-19-11-10-18-47(43)48)72-59(81)51(28-44-31-63-34-67-44)71-53(76)23-21-39-13-6-5-7-14-39/h5-11,13-16,18-20,22,25,30-32,34-38,46,49-52,54,65-66H,12,17,21,23-24,26-29,33H2,1-4H3,(H2,62,77)(H,63,67)(H,64,68)(H,69,80)(H,70,82)(H,71,76)(H,72,81)(H,73,78)(H,74,79)/t37-,38+,46-,49+,50+,51+,52+,54+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.


J Med Chem 37: 439-45 (1994)


Article DOI: 10.1021/jm00030a002
BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50036930
PNG
(2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=c1[nH]n(CCCCN2CCN(CC2)c2nsc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C23H25N5O2S/c29-22-17-7-1-2-8-18(17)23(30)28(24-22)12-6-5-11-26-13-15-27(16-14-26)21-19-9-3-4-10-20(19)31-25-21/h1-4,7-10H,5-6,11-16H2,(H,24,29)
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n/an/a 2.60n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin


J Med Chem 37: 2552-63 (1994)


Article DOI: 10.1021/jm00042a008
BindingDB Entry DOI: 10.7270/Q2G15ZWF
More data for this
Ligand-Target Pair
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