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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'bali' and Initial = 'jp'   
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
Cholecystokinin receptor type A


(RAT)
BDBM50026690
PNG
(2-[2-(2-{2-[2-{2-[2-(2-Amino-3-phenyl-propionylami...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of the binding of [125I]-(Nle11)-HG-13 to Histamine H2 receptor


J Med Chem 27: 1597-601 (1985)


BindingDB Entry DOI: 10.7270/Q29P30PD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50026688
PNG
(3-(2-tert-Butoxycarbonylamino-4-methylsulfanyl-but...)
Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C14H25N3O6S/c1-14(2,3)23-13(22)17-8(5-6-24-4)12(21)16-9(11(15)20)7-10(18)19/h8-9H,5-7H2,1-4H3,(H2,15,20)(H,16,21)(H,17,22)(H,18,19)/t8-,9-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of the binding of [125I]-(Nle11)-HG-13 to Histamine H2 receptor


J Med Chem 27: 1597-601 (1985)


BindingDB Entry DOI: 10.7270/Q29P30PD
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50024328
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)NC(=O)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O8/c1-20(2)15-26(33(47)41-28(18-29(42)43)40-31(45)24(30(36)44)16-21-11-7-6-8-12-21)38-32(46)27(39-34(48)49-35(3,4)5)17-22-19-37-25-14-10-9-13-23(22)25/h6-14,19-20,24,26-28,37H,15-18H2,1-5H3,(H2,36,44)(H,38,46)(H,39,48)(H,40,45)(H,41,47)(H,42,43)/t24?,26-,27+,28+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50024330
PNG
(3-(3-Benzyl-ureido)-3-{2-[2-tert-butoxycarbonylami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O8/c1-20(2)15-26(31(45)40-28(18-29(42)43)33(47)38-25(30(36)44)16-21-11-7-6-8-12-21)39-32(46)27(41-34(48)49-35(3,4)5)17-22-19-37-24-14-10-9-13-23(22)24/h6-14,19-20,25-28,37H,15-18H2,1-5H3,(H2,36,44)(H,38,47)(H,39,46)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50024330
PNG
(3-(3-Benzyl-ureido)-3-{2-[2-tert-butoxycarbonylami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O8/c1-20(2)15-26(31(45)40-28(18-29(42)43)33(47)38-25(30(36)44)16-21-11-7-6-8-12-21)39-32(46)27(41-34(48)49-35(3,4)5)17-22-19-37-24-14-10-9-13-23(22)24/h6-14,19-20,25-28,37H,15-18H2,1-5H3,(H2,36,44)(H,38,47)(H,39,46)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020575
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C35H47N5O7/c1-22(2)17-28(32(44)38-25(20-31(42)43)19-30(41)36-16-15-23-11-7-6-8-12-23)39-33(45)29(40-34(46)47-35(3,4)5)18-24-21-37-27-14-10-9-13-26(24)27/h6-14,21-22,25,28-29,37H,15-20H2,1-5H3,(H,36,41)(H,38,44)(H,39,45)(H,40,46)(H,42,43)
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n/an/a 750n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020560
PNG
(4-Benzylcarbamoyl-3-{2-[2-tert-butoxycarbonylamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H45N5O7/c1-21(2)15-27(31(43)37-24(18-30(41)42)17-29(40)36-19-22-11-7-6-8-12-22)38-32(44)28(39-33(45)46-34(3,4)5)16-23-20-35-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-28,35H,15-19H2,1-5H3,(H,36,40)(H,37,43)(H,38,44)(H,39,45)(H,41,42)
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n/an/a 1.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50024327
PNG
(CHEMBL349888 | N-{1-[2-tert-Butoxycarbonylamino-3-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H46N6O8/c1-20(2)15-28(41-33(47)27(18-29(42)43)38-31(45)24(30(36)44)16-21-11-7-6-8-12-21)40-32(46)26(39-34(48)49-35(3,4)5)17-22-19-37-25-14-10-9-13-23(22)25/h6-14,19-20,24,26-28,37H,15-18H2,1-5H3,(H2,36,44)(H,38,45)(H,39,48)(H,40,46)(H,41,47)(H,42,43)/t24?,26-,27+,28-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020564
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C36H48N6O8/c1-21(2)15-28(33(47)39-24(19-31(44)45)18-30(43)40-27(32(37)46)16-22-11-7-6-8-12-22)41-34(48)29(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,46)(H,39,47)(H,40,43)(H,41,48)(H,42,49)(H,44,45)
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n/an/a 1.50E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020569
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-21(2)15-28(33(47)39-24(19-31(44)45)18-30(43)40-27(32(37)46)16-22-11-7-6-8-12-22)41-34(48)29(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,46)(H,39,47)(H,40,43)(H,41,48)(H,42,49)(H,44,45)/t24?,27-,28?,29?/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020561
PNG
(3-{3-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)CC(CC(=O)N[C@H](CC(O)=O)C(=O)NCCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)17-25(19-30(41)39-29(20-31(42)43)32(44)36-16-15-23-11-7-6-8-12-23)38-33(45)28(40-34(46)47-35(3,4)5)18-24-21-37-27-14-10-9-13-26(24)27/h6-14,21-22,25,28-29,37H,15-20H2,1-5H3,(H,36,44)(H,38,45)(H,39,41)(H,40,46)(H,42,43)/t25?,28?,29-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50026691
PNG
(4-Benzyloxycarbonylamino-4-{1-[1-({[1-[1-(1-carbam...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H57N9O14S/c1-26(51-44(66)33(16-17-39(59)60)56-47(69)70-25-28-8-4-3-5-9-28)42(64)55-36(20-27-12-14-30(57)15-13-27)43(65)50-24-38(58)52-37(21-29-23-49-32-11-7-6-10-31(29)32)46(68)53-34(18-19-71-2)45(67)54-35(41(48)63)22-40(61)62/h3-15,23,26,33-37,49,57H,16-22,24-25H2,1-2H3,(H2,48,63)(H,50,65)(H,51,66)(H,52,58)(H,53,68)(H,54,67)(H,55,64)(H,56,69)(H,59,60)(H,61,62)/t26-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of the binding of [125I]-(Nle11)-HG-13 to Histamine H2 receptor


J Med Chem 27: 1597-601 (1985)


BindingDB Entry DOI: 10.7270/Q29P30PD
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020573
PNG
(3-{3-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)CC(CC(=O)NC(CC(O)=O)C(=O)NCCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)17-25(19-30(41)39-29(20-31(42)43)32(44)36-16-15-23-11-7-6-8-12-23)38-33(45)28(40-34(46)47-35(3,4)5)18-24-21-37-27-14-10-9-13-26(24)27/h6-14,21-22,25,28-29,37H,15-20H2,1-5H3,(H,36,44)(H,38,45)(H,39,41)(H,40,46)(H,42,43)
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n/an/a 5.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020574
PNG
(CHEMBL356844 | N-Benzyl-3-{3-[2-tert-butoxycarbony...)
Show SMILES CC(C)CC(CC(=O)NC(CC(O)=O)C(=O)NCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H45N5O7/c1-21(2)15-24(17-29(40)38-28(18-30(41)42)31(43)36-19-22-11-7-6-8-12-22)37-32(44)27(39-33(45)46-34(3,4)5)16-23-20-35-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-28,35H,15-19H2,1-5H3,(H,36,43)(H,37,44)(H,38,40)(H,39,45)(H,41,42)
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n/an/a 5.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50024332
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C34H45N5O7/c1-21(2)17-26(32(44)39-28(19-30(41)42)38-29(40)16-15-22-11-7-6-8-12-22)36-31(43)27(37-33(45)46-34(3,4)5)18-23-20-35-25-14-10-9-13-24(23)25/h6-14,20-21,26-28,35H,15-19H2,1-5H3,(H,36,43)(H,37,45)(H,38,40)(H,39,44)(H,41,42)/t26-,27+,28+/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020567
PNG
(CHEMBL355927 | N-Benzyl-3-{3-[2-tert-butoxycarbony...)
Show SMILES CC(C)CC(CC(=O)N[C@H](CC(O)=O)C(=O)NCc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H45N5O7/c1-21(2)15-24(17-29(40)38-28(18-30(41)42)31(43)36-19-22-11-7-6-8-12-22)37-32(44)27(39-33(45)46-34(3,4)5)16-23-20-35-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-28,35H,15-19H2,1-5H3,(H,36,43)(H,37,44)(H,38,40)(H,39,45)(H,41,42)/t24?,27?,28-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020572
PNG
(3-{3-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@@H](CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C36H48N6O8/c1-21(2)15-24(18-30(43)40-29(19-31(44)45)34(48)41-27(32(37)46)16-22-11-7-6-8-12-22)39-33(47)28(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,46)(H,39,47)(H,40,43)(H,41,48)(H,42,49)(H,44,45)
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n/an/a 1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020566
PNG
(3-{3-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@@H](CC(=O)NC(CC(O)=O)C(=O)NCCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)17-25(19-30(41)39-29(20-31(42)43)32(44)36-16-15-23-11-7-6-8-12-23)38-33(45)28(40-34(46)47-35(3,4)5)18-24-21-37-27-14-10-9-13-26(24)27/h6-14,21-22,25,28-29,37H,15-20H2,1-5H3,(H,36,44)(H,38,45)(H,39,41)(H,40,46)(H,42,43)/t25-,28+,29?/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020571
PNG
(4-Benzylcarbamoyl-3-{2-[2-tert-butoxycarbonylamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C34H45N5O7/c1-21(2)15-27(31(43)37-24(18-30(41)42)17-29(40)36-19-22-11-7-6-8-12-22)38-32(44)28(39-33(45)46-34(3,4)5)16-23-20-35-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-28,35H,15-19H2,1-5H3,(H,36,40)(H,37,43)(H,38,44)(H,39,45)(H,41,42)/t24-,27-,28+/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50026689
PNG
(3-{2-[2-{2-[2-tert-Butoxycarbonylamino-3-(4-hydrox...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C36H47N7O10S/c1-36(2,3)53-35(52)43-27(15-20-9-11-22(44)12-10-20)32(49)39-19-29(45)40-28(16-21-18-38-24-8-6-5-7-23(21)24)34(51)41-25(13-14-54-4)33(50)42-26(31(37)48)17-30(46)47/h5-12,18,25-28,38,44H,13-17,19H2,1-4H3,(H2,37,48)(H,39,49)(H,40,45)(H,41,51)(H,42,50)(H,43,52)(H,46,47)/t25-,26-,27-,28-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of the binding of [125I]-(Nle11)-HG-13 to Histamine H2 receptor


J Med Chem 27: 1597-601 (1985)


BindingDB Entry DOI: 10.7270/Q29P30PD
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50024335
PNG
(3-(3-Benzyl-ureido)-N-{1-[2-tert-butoxycarbonylami...)
Show SMILES CCCC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H44N6O7/c1-5-6-16-27(39-30(43)26(18-28(40)41)36-31(44)35-19-21-12-8-7-9-13-21)38-29(42)25(37-32(45)46-33(2,3)4)17-22-20-34-24-15-11-10-14-23(22)24/h7-15,20,25-27,34H,5-6,16-19H2,1-4H3,(H,37,45)(H,38,42)(H,39,43)(H,40,41)(H2,35,36,44)/t25-,26+,27-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026279
PNG
(3-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C29H42N6O8/c1-15(2)11-21(26(40)33-20(24(30)38)13-23(36)37)35-27(41)22(12-17-14-31-19-10-8-7-9-18(17)19)34-25(39)16(3)32-28(42)43-29(4,5)6/h7-10,14-16,20-22,31H,11-13H2,1-6H3,(H2,30,38)(H,32,42)(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t16-,20-,21-,22-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026297
PNG
(4-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C27H39N5O7/c1-15(2)12-20(24(36)30-19(23(28)35)10-11-22(33)34)31-25(37)21(32-26(38)39-27(3,4)5)13-16-14-29-18-9-7-6-8-17(16)18/h6-9,14-15,19-21,29H,10-13H2,1-5H3,(H2,28,35)(H,30,36)(H,31,37)(H,32,38)(H,33,34)/t19-,20-,21-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020563
PNG
(CHEMBL151619 | N-Benzyl-3-{3-[2-tert-butoxycarbony...)
Show SMILES CC(C)C[C@@H](CC(=O)NC(CC(O)=O)C(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H45N5O7/c1-21(2)15-24(17-29(40)38-28(18-30(41)42)31(43)36-19-22-11-7-6-8-12-22)37-32(44)27(39-33(45)46-34(3,4)5)16-23-20-35-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-28,35H,15-19H2,1-5H3,(H,36,43)(H,37,44)(H,38,40)(H,39,45)(H,41,42)/t24-,27+,28?/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026288
PNG
(3-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C28H40N6O8S/c1-15(31-27(41)42-28(2,3)4)24(38)34-21(12-16-14-30-18-9-7-6-8-17(16)18)26(40)32-19(10-11-43-5)25(39)33-20(23(29)37)13-22(35)36/h6-9,14-15,19-21,30H,10-13H2,1-5H3,(H2,29,37)(H,31,41)(H,32,40)(H,33,39)(H,34,38)(H,35,36)/t15-,19-,20-,21-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50452439
PNG
(CHEMBL2373213)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C33H44N6O7/c1-20(2)15-25(30(43)38-27(17-28(40)41)39-31(44)35-18-21-11-7-6-8-12-21)36-29(42)26(37-32(45)46-33(3,4)5)16-22-19-34-24-14-10-9-13-23(22)24/h6-14,19-20,25-27,34H,15-18H2,1-5H3,(H,36,42)(H,37,45)(H,38,43)(H,40,41)(H2,35,39,44)/t25-,26-,27-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020562
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)NCCc1ccccc1
Show InChI InChI=1S/C35H47N5O7/c1-22(2)17-28(32(44)38-25(20-31(42)43)19-30(41)36-16-15-23-11-7-6-8-12-23)39-33(45)29(40-34(46)47-35(3,4)5)18-24-21-37-27-14-10-9-13-26(24)27/h6-14,21-22,25,28-29,37H,15-20H2,1-5H3,(H,36,41)(H,38,44)(H,39,45)(H,40,46)(H,42,43)/t25-,28-,29+/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled gCholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026298
PNG
(3-{2-[2-(2-tert-Butoxycarbonylamino-acetylamino)-3...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C27H38N6O8S/c1-27(2,3)41-26(40)30-14-21(34)31-20(11-15-13-29-17-8-6-5-7-16(15)17)25(39)32-18(9-10-42-4)24(38)33-19(23(28)37)12-22(35)36/h5-8,13,18-20,29H,9-12,14H2,1-4H3,(H2,28,37)(H,30,40)(H,31,34)(H,32,39)(H,33,38)(H,35,36)/t18-,19-,20-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026299
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H35N5O7S/c1-25(2,3)37-24(36)30-19(11-14-13-27-16-8-6-5-7-15(14)16)23(35)28-17(9-10-38-4)22(34)29-18(21(26)33)12-20(31)32/h5-8,13,17-19,27H,9-12H2,1-4H3,(H2,26,33)(H,28,35)(H,29,34)(H,30,36)(H,31,32)/t17-,18-,19-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026283
PNG
(1-(2-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1C(O)=O
Show InChI InChI=1S/C32H45N5O9/c1-18(2)14-22(27(40)35-24(16-26(38)39)29(42)37-13-9-8-12-25(37)30(43)44)34-28(41)23(36-31(45)46-32(3,4)5)15-19-17-33-21-11-7-6-10-20(19)21/h6-7,10-11,17-18,22-25,33H,8-9,12-16H2,1-5H3,(H,34,41)(H,35,40)(H,36,45)(H,38,39)(H,43,44)/t22-,23-,24-,25-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026284
PNG
(2-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C26H36N4O8/c1-14(2)10-18(22(33)29-20(24(35)36)12-21(31)32)28-23(34)19(30-25(37)38-26(3,4)5)11-15-13-27-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,27H,10-12H2,1-5H3,(H,28,34)(H,29,33)(H,30,37)(H,31,32)(H,35,36)/t18-,19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50026298
PNG
(3-{2-[2-(2-tert-Butoxycarbonylamino-acetylamino)-3...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C27H38N6O8S/c1-27(2,3)41-26(40)30-14-21(34)31-20(11-15-13-29-17-8-6-5-7-16(15)17)25(39)32-18(9-10-42-4)24(38)33-19(23(28)37)12-22(35)36/h5-8,13,18-20,29H,9-12,14H2,1-4H3,(H2,28,37)(H,30,40)(H,31,34)(H,32,39)(H,33,38)(H,35,36)/t18-,19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of the binding of [125I]-(Nle11)-HG-13 to Histamine H2 receptor


J Med Chem 27: 1597-601 (1985)


BindingDB Entry DOI: 10.7270/Q29P30PD
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026282
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C29H35N5O7/c1-29(2,3)41-28(40)34-23(14-18-16-31-20-12-8-7-11-19(18)20)27(39)33-22(13-17-9-5-4-6-10-17)26(38)32-21(25(30)37)15-24(35)36/h4-12,16,21-23,31H,13-15H2,1-3H3,(H2,30,37)(H,32,38)(H,33,39)(H,34,40)(H,35,36)/t21-,22-,23-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026286
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C26H37N5O7/c1-5-6-10-18(23(35)30-19(22(27)34)13-21(32)33)29-24(36)20(31-25(37)38-26(2,3)4)12-15-14-28-17-11-8-7-9-16(15)17/h7-9,11,14,18-20,28H,5-6,10,12-13H2,1-4H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t18-,19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020576
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-21(2)15-28(33(47)39-24(19-31(44)45)18-30(43)40-27(32(37)46)16-22-11-7-6-8-12-22)41-34(48)29(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,46)(H,39,47)(H,40,43)(H,41,48)(H,42,49)(H,44,45)/t24-,27?,28-,29+/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026291
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C26H37N5O7/c1-14(2)10-19(23(35)29-18(22(27)34)12-21(32)33)30-24(36)20(31-25(37)38-26(3,4)5)11-15-13-28-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H2,27,34)(H,29,35)(H,30,36)(H,31,37)(H,32,33)/t18-,19+,20+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026295
PNG
(3-{2-[2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C29H35N5O7/c1-17(2)12-23(27(38)32-22(26(30)37)14-25(35)36)33-28(39)24(13-19-15-31-21-11-7-6-10-20(19)21)34-29(40)41-16-18-8-4-3-5-9-18/h3-11,15,17,22-24,31H,12-14,16H2,1-2H3,(H2,30,37)(H,32,38)(H,33,39)(H,34,40)(H,35,36)/t22-,23-,24-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50026299
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H35N5O7S/c1-25(2,3)37-24(36)30-19(11-14-13-27-16-8-6-5-7-15(14)16)23(35)28-17(9-10-38-4)22(34)29-18(21(26)33)12-20(31)32/h5-8,13,17-19,27H,9-12H2,1-4H3,(H2,26,33)(H,28,35)(H,29,34)(H,30,36)(H,31,32)/t17-,18-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of the binding of [125I]-(Nle11)-HG-13 to Histamine H2 receptor


J Med Chem 27: 1597-601 (1985)


BindingDB Entry DOI: 10.7270/Q29P30PD
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020577
PNG
(3-{3-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)CC(CC(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H48N6O8/c1-21(2)15-24(18-30(43)40-29(19-31(44)45)34(48)41-27(32(37)46)16-22-11-7-6-8-12-22)39-33(47)28(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,46)(H,39,47)(H,40,43)(H,41,48)(H,42,49)(H,44,45)/t24?,27-,28?,29-/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020570
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H48N6O8/c1-21(2)15-27(33(47)41-29(19-31(44)45)32(46)39-24(18-30(37)43)16-22-11-7-6-8-12-22)40-34(48)28(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,43)(H,39,46)(H,40,48)(H,41,47)(H,42,49)(H,44,45)
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INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026296
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C26H37N5O7/c1-14(2)10-19(23(35)29-18(22(27)34)12-21(32)33)30-24(36)20(31-25(37)38-26(3,4)5)11-15-13-28-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H2,27,34)(H,29,35)(H,30,36)(H,31,37)(H,32,33)/t18-,19?,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50367238
PNG
(CHEMBL1790763)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C26H37N5O7/c1-6-14(2)21(24(36)29-18(22(27)34)12-20(32)33)31-23(35)19(30-25(37)38-26(3,4)5)11-15-13-28-17-10-8-7-9-16(15)17/h7-10,13-14,18-19,21,28H,6,11-12H2,1-5H3,(H2,27,34)(H,29,36)(H,30,37)(H,31,35)(H,32,33)/t14-,18-,19-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026292
PNG
(2-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C26H37N5O7/c1-14(2)10-18(22(33)30-20(24(35)36)12-21(27)32)29-23(34)19(31-25(37)38-26(3,4)5)11-15-13-28-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H2,27,32)(H,29,34)(H,30,33)(H,31,37)(H,35,36)/t18-,19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026280
PNG
(2-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C29H42N6O8/c1-15(2)11-20(25(38)35-22(27(40)41)13-23(30)36)34-26(39)21(12-17-14-31-19-10-8-7-9-18(17)19)33-24(37)16(3)32-28(42)43-29(4,5)6/h7-10,14-16,20-22,31H,11-13H2,1-6H3,(H2,30,36)(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t16-,20-,21-,22-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026290
PNG
(3-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C29H42N6O8/c1-6-7-11-20(26(40)34-21(24(30)38)14-23(36)37)33-27(41)22(13-17-15-31-19-12-9-8-10-18(17)19)35-25(39)16(2)32-28(42)43-29(3,4)5/h8-10,12,15-16,20-22,31H,6-7,11,13-14H2,1-5H3,(H2,30,38)(H,32,42)(H,33,41)(H,34,40)(H,35,39)(H,36,37)/t16-,20-,21-,22-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50024331
PNG
(3-Benzyloxycarbonylamino-N-{1-[1-(2-butoxycarbonyl...)
Show SMILES CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H47N5O9/c1-3-5-15-28(39-35(47)30(21-31(42)43)41-36(48)50-23-24-12-8-7-9-13-24)34(46)40-29(20-25-22-38-27-16-11-10-14-26(25)27)33(45)37-18-17-32(44)49-19-6-4-2/h7-14,16,22,28-30,38H,3-6,15,17-21,23H2,1-2H3,(H,37,45)(H,39,47)(H,40,46)(H,41,48)(H,42,43)/t28-,29+,30+/m1/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50024329
PNG
(3-(3-Benzyl-ureido)-N-{1-[1-(2-butoxycarbonyl-ethy...)
Show SMILES CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C36H48N6O8/c1-3-5-15-28(40-35(48)30(21-31(43)44)42-36(49)39-22-24-12-8-7-9-13-24)34(47)41-29(20-25-23-38-27-16-11-10-14-26(25)27)33(46)37-18-17-32(45)50-19-6-4-2/h7-14,16,23,28-30,38H,3-6,15,17-22H2,1-2H3,(H,37,46)(H,40,48)(H,41,47)(H,43,44)(H2,39,42,49)/t28-,29+,30+/m1/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50024333
PNG
(CHEMBL351531 | N-{1-[1-(2-Butoxycarbonyl-ethylcarb...)
Show SMILES CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C37H49N5O8/c1-3-5-15-29(41-37(49)31(23-33(44)45)40-32(43)18-17-25-12-8-7-9-13-25)36(48)42-30(22-26-24-39-28-16-11-10-14-27(26)28)35(47)38-20-19-34(46)50-21-6-4-2/h7-14,16,24,29-31,39H,3-6,15,17-23H2,1-2H3,(H,38,47)(H,40,43)(H,41,49)(H,42,48)(H,44,45)/t29-,30+,31+/m1/s1
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n/an/a 8.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50026281
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)C
Show InChI InChI=1S/C28H41N5O7/c1-16(2)12-20(24(36)31-22(14-23(34)35)26(38)33(6)7)30-25(37)21(32-27(39)40-28(3,4)5)13-17-15-29-19-11-9-8-10-18(17)19/h8-11,15-16,20-22,29H,12-14H2,1-7H3,(H,30,37)(H,31,36)(H,32,39)(H,34,35)/t20-,21-,22-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50020568
PNG
(3-{3-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H48N6O8/c1-21(2)15-24(18-30(43)40-29(19-31(44)45)34(48)41-27(32(37)46)16-22-11-7-6-8-12-22)39-33(47)28(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,46)(H,39,47)(H,40,43)(H,41,48)(H,42,49)(H,44,45)/t24-,27?,28+,29?/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair
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